data_1g4d_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 1g4d _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CG ' ' H ' ' A' ' 14' ' ' SER . 27.8 tttp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.485 0.66 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.446 ' HG ' ' H ' ' A' ' 15' ' ' ILE . 20.3 t -160.69 173.53 15.31 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 109.265 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.516 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.3 mt -142.18 162.47 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.516 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.3 m95 -147.49 154.06 40.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.759 -0.588 . . . . 0.0 109.657 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 16' ' ' TRP . 37.2 m -151.45 158.3 43.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.745 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -81.35 144.36 53.52 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -39.71 -44.6 3.41 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.089 1.859 . . . . 0.0 112.738 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.41 -31.41 63.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.329 -0.857 . . . . 0.0 110.292 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.3 -40.49 51.42 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 108.825 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.32 -54.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.564 -0.71 . . . . 0.0 110.263 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -50.5 -27.33 6.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 0.0 109.2 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.34 -8.11 59.69 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 109.929 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.56 152.22 27.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.813 -1.18 . . . . 0.0 110.042 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.03 158.51 25.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.963 -1.086 . . . . 0.0 108.844 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . . . 78.54 -17.47 6.59 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.7 mmt -89.49 150.27 44.13 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 120.969 -1.312 . . . . 0.0 109.835 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -36.81 -65.67 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.885 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.17 18.01 4.33 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -145.88 145.56 30.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -1.029 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -54.48 -48.03 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.125 -0.984 . . . . 0.0 109.202 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.77 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.156 -0.965 . . . . 0.0 109.171 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.27 -43.03 42.55 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.36 -51.45 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.023 -1.281 . . . . 0.0 108.517 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 45.3 m-70 -53.14 -28.71 27.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.288 -0.883 . . . . 0.0 109.2 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.51 -73.7 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.043 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 43.8 mtp180 -54.74 -36.51 64.87 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.506 -0.746 . . . . 0.0 109.899 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.72 -57.59 7.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.381 -0.824 . . . . 0.0 111.398 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.48 -36.4 65.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.923 -1.11 . . . . 0.0 109.559 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.1 t -70.43 -42.0 78.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.218 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.447 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 75.7 mt-30 -85.41 -23.3 27.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.138 -0.976 . . . . 0.0 109.972 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 49.63 5.12 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -66.61 143.34 57.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.273 -1.133 . . . . 0.0 109.78 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 m -73.86 154.51 39.43 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -143.55 133.58 24.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.74 -1.225 . . . . 0.0 112.613 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 3.4 tpp180 -98.39 112.09 24.22 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.09 118.69 14.2 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.86 165.28 24.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.5 mt-10 -131.28 -54.72 1.03 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.325 -0.86 . . . . 0.0 110.011 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.27 -16.44 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 O-C-N 121.503 -0.748 . . . . 0.0 111.246 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 45.6 t -88.07 137.26 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.701 -1.47 . . . . 0.0 110.268 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.548 ' C ' ' H ' ' A' ' 55' ' ' GLY . 37.3 mttp -50.12 169.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.988 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.601 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.59 -30.39 0.17 Allowed Glycine 0 N--CA 1.489 2.216 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.316 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 65.11 -10.02 0.42 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.601 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.1 mtpp -73.42 -18.15 61.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 108.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.22 124.17 19.81 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.527 -0.733 . . . . 0.0 110.589 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 m -139.5 138.86 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -92.76 166.13 12.6 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.137 -0.977 . . . . 0.0 108.805 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -118.18 150.59 39.14 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' ' OG ' ' A' ' 64' ' ' SER . 41.0 t0 -77.4 106.85 9.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 110.442 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.18 -26.28 38.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.6 mmm -74.51 -2.54 26.19 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.765 . . . . 0.0 108.978 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 84.0 p -108.16 -12.51 15.09 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.469 -0.769 . . . . 0.0 109.3 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -72.83 153.84 91.15 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.936 -1.102 . . . . 0.0 109.31 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' THR . 65.6 Cg_exo -39.26 136.97 0.86 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.198 1.932 . . . . 0.0 111.613 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PRO . 74.6 m -43.85 -54.35 5.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.488 -0.758 . . . . 0.0 109.724 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -53.22 -49.82 65.99 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.003 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 27' ' ' GLY . 39.5 mm-40 -57.97 -42.35 84.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.458 -0.776 . . . . 0.0 110.148 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -50.54 -45.63 56.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.047 -1.033 . . . . 0.0 109.605 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -60.91 -38.68 86.57 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.411 -0.806 . . . . 0.0 109.293 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -63.98 -44.83 91.52 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.241 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.7 t -71.35 -54.44 17.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' GLY . 1.6 mp -54.5 -38.47 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.92 -1.112 . . . . 0.0 108.374 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.87 60.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.102 -0.998 . . . . 0.0 108.692 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -63.01 -38.45 91.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.17 -37.58 66.5 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.73 38.82 8.5 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.495 1.819 0 O-C-N 121.515 -0.991 . . . . 0.0 109.775 -179.528 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.228 0.537 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.8 t -160.15 173.36 15.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.249 -0.907 . . . . 0.0 109.54 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 74.9 mt -141.13 160.91 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.505 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 13.5 m95 -146.62 157.55 43.74 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.6 m -148.88 156.6 42.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.143 -0.973 . . . . 0.0 110.869 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 161.63 71.2 Favored Pre-proline 0 C--N 1.301 -1.524 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.6 -46.08 32.46 Favored 'Trans proline' 0 C--N 1.299 -2.067 0 C-N-CA 122.014 1.809 . . . . 0.0 111.534 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.31 -26.2 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 110.784 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.98 -40.13 47.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.759 -1.213 . . . . 0.0 109.47 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.9 mt -73.92 -50.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.512 -0.742 . . . . 0.0 110.332 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -27.28 28.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 0.0 108.761 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.96 57.79 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.96 149.21 30.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.896 -1.127 . . . . 0.0 109.39 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.8 m-20 -65.04 156.14 32.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.764 -1.21 . . . . 0.0 108.69 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.86 -23.7 2.52 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.463 ' H ' ' C ' ' A' ' 26' ' ' ASP . 13.8 mmt -94.03 143.76 26.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.263 -1.14 . . . . 0.0 109.835 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.5 Cg_exo -41.87 169.72 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 121.969 1.779 . . . . 0.0 112.24 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.2 28.83 6.42 Favored Glycine 0 N--CA 1.499 2.849 0 N-CA-C 108.606 -1.797 . . . . 0.0 108.606 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -145.23 133.7 21.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.525 -0.985 . . . . 0.0 108.785 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 t -49.77 -46.61 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.036 -1.04 . . . . 0.0 109.197 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.93 77.28 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.977 -1.077 . . . . 0.0 108.688 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -31.55 71.13 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.76 -51.62 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.39 -1.065 . . . . 0.0 108.906 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.525 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 91.7 m-70 -63.93 -19.99 65.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.264 -0.897 . . . . 0.0 109.54 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -62.05 -74.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.287 -0.883 . . . . 0.0 109.062 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.47 -38.26 68.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 0.0 109.945 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -52.59 -47.43 66.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.137 -0.977 . . . . 0.0 110.545 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 14.6 p30 -74.03 -46.58 42.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.174 -0.953 . . . . 0.0 109.544 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.1 t -64.47 -42.46 95.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.683 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 15.9 mt-30 -87.73 -28.21 21.89 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.299 -0.876 . . . . 0.0 110.0 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 79.3 60.35 2.54 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.322 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.463 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 45.3 m0 -68.4 139.99 55.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.18 -1.188 . . . . 0.0 109.352 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 m -71.12 114.51 9.25 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -102.18 137.19 40.77 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 122.506 1.146 . . . . 0.0 113.98 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 6.0 ttm-85 -96.11 140.61 30.58 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 175.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -77.69 117.8 19.45 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.108 -0.995 . . . . 0.0 110.237 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.483 ' CB ' ' HZ2' ' A' ' 49' ' ' LYS . 5.3 ttpm? -96.97 145.9 25.48 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' VAL . 26.6 mt-10 -130.95 -42.87 1.09 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.24 -0.913 . . . . 0.0 110.768 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -33.78 -29.0 0.01 OUTLIER Glycine 0 N--CA 1.501 2.993 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 50' ' ' GLU . 72.5 t -89.81 124.07 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.167 -1.196 . . . . 0.0 109.598 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.01 121.97 12.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.115 -0.991 . . . . 0.0 108.569 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 153.98 -29.12 0.73 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.38 -34.62 0.55 Allowed Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.245 -1.15 . . . . 0.0 110.279 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.3 mtpp -73.49 -3.95 30.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.255 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.93 123.92 20.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 111.436 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.7 m -145.51 133.3 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -93.37 176.75 6.27 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.125 -0.984 . . . . 0.0 109.101 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.414 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 88.4 m-85 -130.88 143.64 50.88 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.217 -0.927 . . . . 0.0 109.942 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 33.6 t0 -78.53 114.45 17.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.62 -0.675 . . . . 0.0 111.173 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 -24.83 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.431 -0.793 . . . . 0.0 109.079 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.25 -0.76 8.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 108.77 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 p -107.35 -9.41 16.04 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.648 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.84 152.37 96.05 Favored Pre-proline 0 C--N 1.307 -1.249 0 O-C-N 121.397 -0.815 . . . . 0.0 109.882 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -42.17 145.36 0.87 Allowed 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.747 1.631 . . . . 0.0 111.289 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -46.59 -59.85 2.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.172 -0.955 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -51.63 -44.89 63.08 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.328 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.77 -38.14 84.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.314 -0.866 . . . . 0.0 109.961 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -51.21 -63.01 1.27 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.912 -1.117 . . . . 0.0 109.406 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.58 -53.36 43.03 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -70.93 -51.56 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.32 -28.61 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.027 -1.046 . . . . 0.0 108.188 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.89 -39.04 24.44 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 119.473 -0.891 . . . . 0.0 108.84 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.89 -43.44 65.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.96 23.29 7.49 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.5 2.05 0 O-C-N 121.125 -1.221 . . . . 0.0 108.284 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 pttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -160.52 179.93 8.19 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 109.66 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.536 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 82.3 mt -140.68 162.38 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 17.4 m95 -145.65 153.55 41.15 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.327 0.584 . . . . 0.0 109.492 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.5 m -146.76 154.92 41.96 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.401 -0.812 . . . . 0.0 110.316 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 m -80.87 149.43 67.13 Favored Pre-proline 0 N--CA 1.49 1.554 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -41.3 -44.89 5.73 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.853 1.702 . . . . 0.0 112.126 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.69 -33.94 68.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.536 -0.728 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -37.63 56.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.794 -1.191 . . . . 0.0 108.557 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ALA . 93.7 mt -75.78 -57.11 6.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.479 -0.763 . . . . 0.0 110.033 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.0 ptm -49.22 -26.73 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.105 . . . . 0.0 108.736 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.17 -14.13 56.11 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.041 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -81.61 148.26 29.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.884 -1.135 . . . . 0.0 109.072 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.35 158.55 20.2 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.001 -1.062 . . . . 0.0 109.321 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 -15.94 14.58 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.3 mmt -92.43 149.92 39.11 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.131 -1.217 . . . . 0.0 110.403 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -36.99 -63.13 0.23 Allowed 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.706 2.271 . . . . 0.0 112.744 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.38 6.0 Favored Glycine 0 N--CA 1.499 2.88 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -145.72 142.64 29.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.334 -1.098 . . . . 0.0 109.074 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.18 -48.89 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.045 -1.034 . . . . 0.0 108.706 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.36 75.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.059 -1.026 . . . . 0.0 108.589 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.87 -38.68 46.49 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.553 -1.819 . . . . 0.0 108.553 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.05 -55.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.318 -1.107 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.485 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 76.5 m-70 -53.31 -29.77 35.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.459 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.3 t80 -59.1 -76.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.434 -0.791 . . . . 0.0 108.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -53.63 -33.31 54.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 110.054 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -51.56 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 111.026 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.3 p30 -73.23 -41.81 63.32 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 109.995 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.67 -41.33 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.516 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -87.98 -39.11 14.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.439 -0.788 . . . . 0.0 109.836 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 52.99 1.53 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -66.46 147.16 53.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -1.13 . . . . 0.0 110.32 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -75.08 139.86 43.08 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -132.72 134.15 44.41 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 122.782 1.277 . . . . 0.0 111.556 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.03 118.82 35.48 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 10.4 ttpp -72.13 103.94 3.46 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 9.8 mtpp -78.81 155.66 29.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.069 -1.02 . . . . 0.0 109.075 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.3 mm-40 -131.15 -58.85 1.0 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.16 -16.82 0.04 OUTLIER Glycine 0 N--CA 1.495 2.617 0 O-C-N 121.515 -0.741 . . . . 0.0 111.269 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 5.6 t -87.67 141.39 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.794 -1.415 . . . . 0.0 109.94 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.45 169.9 0.12 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.638 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 84.8 -29.45 4.14 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 67.82 -44.22 0.29 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' GLY . 10.5 mttp -64.38 3.01 0.51 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.432 -1.04 . . . . 0.0 109.036 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -47.28 111.34 0.4 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 111.088 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.4 t -135.6 110.45 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 1.4 mp0 -94.34 170.42 9.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.976 -1.077 . . . . 0.0 109.738 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.81 147.83 45.45 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 109.49 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.5 112.12 16.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.421 -0.8 . . . . 0.0 110.681 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.76 -27.75 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.377 -0.827 . . . . 0.0 108.907 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.2 mmm -73.64 -4.16 32.57 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.418 -0.801 . . . . 0.0 109.793 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 p -102.72 -11.57 18.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.954 . . . . 0.0 109.159 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtm -75.44 154.22 85.83 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.914 -1.116 . . . . 0.0 109.45 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' THR . 91.0 Cg_exo -41.0 138.38 1.66 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.816 1.677 . . . . 0.0 110.835 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' PRO . 4.4 m -41.29 -59.95 1.4 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.338 -0.851 . . . . 0.0 110.282 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.28 -52.52 35.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.101 -0.999 . . . . 0.0 108.636 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.59 -48.51 81.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.437 -0.789 . . . . 0.0 109.058 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -53.3 56.46 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.46 -33.64 76.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.858 -1.152 . . . . 0.0 108.713 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.37 -45.45 87.68 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.08 -53.39 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.446 -0.784 . . . . 0.0 108.908 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' GLY . 96.6 mt -53.13 -37.66 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.99 67.13 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -62.33 -37.76 86.87 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.3 mt -72.82 -36.52 67.55 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 80.49 37.53 20.24 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.653 -0.91 . . . . 0.0 108.722 -179.196 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.313 0.577 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.3 t -160.31 175.43 12.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.3 -0.875 . . . . 0.0 109.65 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.497 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 70.7 mt -139.53 164.5 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 23.7 m95 -148.91 154.79 39.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.667 -0.646 . . . . 0.0 109.432 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -148.89 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.39 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.3 m -79.38 148.26 70.05 Favored Pre-proline 0 C--N 1.302 -1.469 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -40.8 -50.45 3.99 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.847 1.698 . . . . 0.0 112.423 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -57.52 -27.23 62.4 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.468 -0.77 . . . . 0.0 111.528 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.35 -41.2 41.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.669 -1.269 . . . . 0.0 109.764 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 22' ' ' ILE . 58.4 mt -73.86 -50.98 26.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.14 29.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 0.0 108.759 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -15.16 57.57 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.818 -0.551 . . . . 0.0 109.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 148.23 32.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.83 -1.169 . . . . 0.0 109.802 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 28' ' ' MET . 66.1 m-20 -64.29 151.73 42.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.046 -1.033 . . . . 0.0 108.871 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.53 -24.78 4.12 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' PRO . 13.3 mmt -94.46 145.2 29.25 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.345 -1.091 . . . . 0.0 109.678 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' MET . 80.5 Cg_exo -43.3 174.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.108 1.872 . . . . 0.0 112.556 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.24 34.71 3.58 Favored Glycine 0 N--CA 1.499 2.868 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.4 t -146.7 144.54 29.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -1.041 . . . . 0.0 109.474 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.8 t -56.3 -51.2 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.046 -1.034 . . . . 0.0 108.367 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.22 -29.38 69.62 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.65 64.15 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.76 -47.19 89.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.663 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 48.7 m-70 -61.09 -25.82 67.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.502 -0.749 . . . . 0.0 109.253 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.529 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 32.3 t80 -61.98 -76.23 0.06 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.607 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 29.7 mtp180 -50.61 -43.26 56.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.332 -0.855 . . . . 0.0 109.792 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.93 -31.31 62.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 111.074 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 1.9 p30 -76.81 -49.22 16.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.949 -1.094 . . . . 0.0 109.374 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.538 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.5 p -77.04 -32.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.025 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.607 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 51.4 mt-30 -85.6 -26.1 26.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.002 -1.061 . . . . 0.0 109.163 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.9 54.95 6.12 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -66.59 143.02 57.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.099 -1.236 . . . . 0.0 109.5 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -71.59 152.16 43.16 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -141.98 132.72 25.61 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.715 1.245 . . . . 0.0 112.748 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.92 136.04 38.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -72.34 125.19 26.76 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 121.273 -0.892 . . . . 0.0 110.924 -178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -97.62 141.73 30.3 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.5 mt-10 -130.13 -47.53 1.11 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.186 -0.946 . . . . 0.0 110.398 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -36.88 -27.29 0.01 OUTLIER Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 22.7 t -89.89 144.96 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.139 -1.212 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 55' ' ' GLY . 50.1 mttt -49.77 -179.5 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.342 -0.849 . . . . 0.0 109.734 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.565 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.33 -36.87 0.12 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.56 -34.36 0.27 Allowed Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.956 -1.32 . . . . 0.0 109.94 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.4 mtpp -56.22 -8.23 0.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.017 -1.284 . . . . 0.0 108.365 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.84 135.68 57.85 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.54 0.686 . . . . 0.0 110.595 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.4 m -143.33 133.94 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -89.63 167.76 12.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.074 -1.016 . . . . 0.0 108.606 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.663 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 57.8 m-85 -122.04 148.37 44.92 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' O ' ' OG ' ' A' ' 64' ' ' SER . 49.3 t0 -81.69 114.97 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.0 111.38 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.408 ' C ' ' H ' ' A' ' 64' ' ' SER . 74.8 t -64.8 -26.11 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmm -70.6 0.36 7.02 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.302 -0.874 . . . . 0.0 108.681 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 60.4 p -105.35 -12.6 15.97 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.64 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.7 152.93 96.44 Favored Pre-proline 0 N--CA 1.484 1.257 0 O-C-N 121.259 -0.901 . . . . 0.0 109.614 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 74.6 Cg_exo -40.89 136.31 2.07 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.693 1.595 . . . . 0.0 110.908 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 60.4 m -42.42 -56.89 2.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.187 -0.946 . . . . 0.0 110.107 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -52.34 -46.08 65.93 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 108.986 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -62.48 -34.39 76.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.352 -0.843 . . . . 0.0 110.834 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -53.03 -55.44 23.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.906 -1.121 . . . . 0.0 109.508 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.12 -34.56 75.17 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.14 -50.49 65.81 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.649 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.52 -51.29 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.671 -0.643 . . . . 0.0 109.339 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' GLY . 61.4 mt -53.82 -31.14 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 108.25 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.37 -39.38 39.43 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.865 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -62.52 -39.47 93.65 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -72.74 -37.28 67.77 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 78.34 40.09 20.61 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.495 1.805 0 O-C-N 121.55 -0.971 . . . . 0.0 109.155 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -160.21 173.08 16.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.517 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 75.7 mt -142.32 162.32 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.4 m95 -145.92 152.74 39.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.403 0.62 . . . . 0.0 109.67 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.9 m -148.8 153.62 38.38 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.302 -0.874 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.46 160.15 70.7 Favored Pre-proline 0 C--N 1.303 -1.431 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.32 -31.24 84.05 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.019 1.813 . . . . 0.0 110.761 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.21 -38.56 89.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.646 -0.659 . . . . 0.0 110.05 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 mp0 -76.38 -37.44 57.17 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.037 -1.039 . . . . 0.0 109.035 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 25' ' ' ALA . 66.5 mt -74.0 -55.65 11.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 110.048 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -27.83 7.12 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 108.542 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -16.86 52.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.7 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.2 153.0 30.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.015 -1.053 . . . . 0.0 109.194 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 28' ' ' MET . 73.3 m-20 -66.04 158.03 29.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.854 -1.154 . . . . 0.0 109.446 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.9 -24.67 2.32 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.507 ' H ' ' C ' ' A' ' 26' ' ' ASP . 22.9 mmt -95.03 134.17 25.15 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.634 -0.921 . . . . 0.0 109.996 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.1 Cg_exo -44.13 176.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.655 1.57 . . . . 0.0 112.095 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.17 36.78 3.49 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 108.701 -1.76 . . . . 0.0 108.701 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -143.61 131.5 21.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.517 -0.99 . . . . 0.0 108.939 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.5 t -51.61 -37.64 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.959 . . . . 0.0 109.245 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.09 64.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.174 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.89 -39.95 41.19 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.936 -1.665 . . . . 0.0 108.936 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.57 -55.87 19.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.314 -1.109 . . . . 0.0 108.566 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.5 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 91.2 m-70 -52.57 -26.76 14.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.438 -0.789 . . . . 0.0 109.529 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.527 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.2 t80 -60.08 -76.53 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -57.22 -30.4 64.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.143 -0.973 . . . . 0.0 110.233 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.92 71.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.998 -1.063 . . . . 0.0 110.577 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.0 p30 -73.74 -40.75 63.29 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.212 -0.93 . . . . 0.0 109.797 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.95 -36.52 77.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.368 -0.832 . . . . 0.0 109.704 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.25 -39.67 17.49 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.301 -0.874 . . . . 0.0 109.691 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.73 50.75 1.62 Allowed Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.234 -1.547 . . . . 0.0 109.234 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -67.97 142.69 55.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -1.075 . . . . 0.0 109.993 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 m -72.48 148.73 44.81 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.96 136.31 30.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.72 -1.237 . . . . 0.0 112.941 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 9.1 tpp180 -90.14 105.99 18.18 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -68.74 113.73 6.46 Favored 'General case' 0 C--N 1.291 -1.967 0 O-C-N 121.358 -0.839 . . . . 0.0 109.943 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' CD ' ' OE1' ' A' ' 59' ' ' GLU . 18.7 mtpp -87.66 150.77 23.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.255 -0.903 . . . . 0.0 109.293 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.6 mt-10 -131.33 -54.05 1.03 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 110.319 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.42 -8.5 0.04 OUTLIER Glycine 0 N--CA 1.495 2.624 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.6 t -88.1 149.97 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.931 -1.334 . . . . 0.0 109.99 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -52.78 142.08 19.77 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 56.79 69.23 1.34 Allowed Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.641 -2.184 . . . . 0.0 107.641 -178.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . -42.76 -10.53 0.01 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 54' ' ' GLY . 18.3 mttp -52.91 -10.64 0.18 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.71 -1.465 . . . . 0.0 108.238 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.29 131.19 50.01 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.689 0.757 . . . . 0.0 111.12 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.405 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 6.4 m -143.05 128.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -92.22 164.98 13.35 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.347 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.78 146.67 41.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.53 -0.731 . . . . 0.0 109.625 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.44 112.75 15.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.57 -0.706 . . . . 0.0 110.509 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -25.81 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.361 -0.837 . . . . 0.0 108.749 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.9 mmt -72.58 -4.64 31.97 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.353 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.5 p -104.37 -13.71 16.01 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -71.75 156.59 90.98 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.49 142.61 0.64 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.201 1.934 . . . . 0.0 111.842 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 m -45.73 -59.79 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.146 -0.972 . . . . 0.0 109.928 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -50.43 -44.7 55.39 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.226 -0.921 . . . . 0.0 109.227 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.55 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.385 -0.822 . . . . 0.0 110.236 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -54.26 -61.14 2.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.869 -1.144 . . . . 0.0 109.777 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.84 -31.42 70.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 108.867 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -65.15 -52.13 57.02 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.167 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.69 -49.9 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.2 mt -53.61 -37.06 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.62 66.49 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -65.07 -35.56 81.53 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.24 -40.74 74.29 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.02 23.89 7.92 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.498 1.927 0 O-C-N 121.109 -1.23 . . . . 0.0 108.709 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 pttt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -159.16 174.74 14.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.982 -1.074 . . . . 0.0 109.67 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.544 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 5.0 mp -143.3 160.59 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.823 0.82 . . . . 0.0 109.297 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 16.8 m95 -142.72 155.55 44.89 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.0 m -150.89 158.03 43.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.183 -0.948 . . . . 0.0 110.987 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 146.71 56.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -40.78 -39.35 3.09 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.046 1.831 . . . . 0.0 113.132 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -56.32 -37.76 70.37 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.293 -0.88 . . . . 0.0 111.024 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.46 -35.58 63.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.752 -1.218 . . . . 0.0 108.945 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.59 -50.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.664 -0.647 . . . . 0.0 110.384 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -53.17 -28.07 24.55 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.13 -0.981 . . . . 0.0 109.057 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.66 -14.04 57.15 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.59 150.33 31.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.938 -1.101 . . . . 0.0 109.913 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.529 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.9 m-20 -65.92 157.87 29.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.906 -1.121 . . . . 0.0 108.785 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.52 -25.94 1.65 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.529 ' H ' ' C ' ' A' ' 26' ' ' ASP . 23.4 mmt -95.34 137.92 22.0 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.592 -0.946 . . . . 0.0 109.449 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' MET . 91.8 Cg_exo -40.48 168.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 122.051 1.834 . . . . 0.0 112.495 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.51 29.54 7.82 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.11 139.59 28.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.681 -0.893 . . . . 0.0 108.687 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.0 t -55.08 -46.22 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.9 . . . . 0.0 109.894 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.69 84.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 0.0 109.609 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.1 -36.0 20.33 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.02 -58.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.175 -1.191 . . . . 0.0 108.826 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.429 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 90.2 m-70 -50.53 -21.5 1.54 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 12.2 t80 -63.02 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.45 -0.781 . . . . 0.0 109.054 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 8.5 ptm180 -57.34 -28.5 63.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.133 -0.979 . . . . 0.0 110.138 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.3 72.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.927 -1.108 . . . . 0.0 110.583 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.7 p30 -73.41 -39.89 64.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.667 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.01 -37.53 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.825 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.486 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 33.8 mt-30 -86.04 -29.06 23.73 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.185 -0.947 . . . . 0.0 109.511 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.34 54.89 2.86 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.488 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 40.1 m0 -66.91 143.01 57.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -1.168 . . . . 0.0 109.399 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.8 m -73.16 117.06 14.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -104.99 137.93 41.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.211 1.005 . . . . 0.0 112.515 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -111.52 138.73 47.66 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -72.27 132.42 44.03 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.259 -0.9 . . . . 0.0 110.362 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -109.71 150.26 28.55 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.5 mt-10 -130.49 -43.35 1.14 Allowed 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.177 -0.952 . . . . 0.0 110.896 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.51 -35.92 0.02 OUTLIER Glycine 0 N--CA 1.502 3.055 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' GLU . 48.7 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.191 -1.182 . . . . 0.0 110.156 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.555 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.9 mttm -53.75 -166.27 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.834 0.826 . . . . 0.0 110.287 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.582 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.09 -29.28 0.19 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 66.99 -34.09 0.19 Allowed Glycine 0 N--CA 1.492 2.379 0 O-C-N 120.8 -1.412 . . . . 0.0 110.052 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.582 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.3 mtpp -62.04 -8.58 5.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.033 -1.275 . . . . 0.0 109.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.76 129.67 23.4 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 0.0 110.485 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.8 p -144.78 127.97 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.66 165.39 12.34 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.926 -1.109 . . . . 0.0 109.985 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -118.52 146.84 44.23 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -77.15 119.2 20.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.284 -0.885 . . . . 0.0 111.069 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.56 -28.88 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.548 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -74.62 -6.23 47.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.8 -0.563 . . . . 0.0 110.095 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.8 p -100.52 -6.54 25.29 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.488 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.8 mmt -72.44 150.24 91.49 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.661 -0.65 . . . . 0.0 109.872 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 143.31 0.77 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.524 1.482 . . . . 0.0 110.876 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -44.75 -60.57 1.96 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.057 -1.027 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -52.04 -43.69 63.89 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.312 -0.867 . . . . 0.0 109.44 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.71 -36.67 79.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.269 -0.894 . . . . 0.0 110.002 -179.247 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -52.62 -62.24 1.77 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.936 -1.102 . . . . 0.0 109.748 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -57.98 -32.95 68.38 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.22 -52.45 47.79 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.647 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.87 -48.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.738 -0.601 . . . . 0.0 109.952 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.0 -35.99 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.963 -1.085 . . . . 0.0 108.406 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.56 -40.63 49.18 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.18 -38.88 90.77 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -72.6 -46.37 54.51 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.81 37.72 4.1 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.032 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 4.2 mm? . . . . . 0 N--CA 1.508 2.444 0 O-C-N 120.584 -1.539 . . . . 0.0 108.409 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 17.2 t -160.85 -178.84 7.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.53 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 5.0 mp -140.61 160.35 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 0.0 109.365 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.53 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 22.9 m95 -143.22 151.2 40.33 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.9 m -152.51 156.51 39.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.317 -0.864 . . . . 0.0 111.111 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.18 163.65 56.34 Favored Pre-proline 0 C--N 1.303 -1.444 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.42 -31.3 94.57 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 121.999 1.799 . . . . 0.0 111.402 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.72 -38.61 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 109.901 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -77.3 -38.0 51.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.038 -1.039 . . . . 0.0 108.827 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.41 -56.14 9.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.605 -0.684 . . . . 0.0 109.557 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.451 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -52.13 -24.22 6.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.33 -13.47 59.62 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.811 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.52 162.76 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 109.693 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.56 ' C ' ' H ' ' A' ' 28' ' ' MET . 62.1 m-20 -63.94 -80.62 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.303 -0.873 . . . . 0.0 112.255 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.72 -6.42 0.04 OUTLIER Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.56 ' H ' ' C ' ' A' ' 26' ' ' ASP . 14.2 mmt -97.11 153.04 38.62 Favored Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.258 . . . . 0.0 110.187 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' MET . 22.3 Cg_endo -61.69 173.25 2.99 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.187 1.925 . . . . 0.0 111.57 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.75 36.13 3.89 Favored Glycine 0 N--CA 1.499 2.899 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -144.21 129.65 18.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.486 -1.008 . . . . 0.0 108.724 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 t -51.77 -31.78 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.135 -0.978 . . . . 0.0 109.17 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -40.31 41.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.248 -0.907 . . . . 0.0 109.159 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.27 -44.67 52.33 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.24 -55.43 24.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.149 -1.206 . . . . 0.0 108.352 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.471 ' HD1' ' HH ' ' A' ' 60' ' ' TYR . 76.5 m-70 -49.99 -25.08 2.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.345 -0.847 . . . . 0.0 109.301 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 13.8 t80 -61.65 -77.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 0.0 109.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -27.83 64.63 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.237 -0.914 . . . . 0.0 109.673 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.11 -54.03 35.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.801 -1.187 . . . . 0.0 110.115 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.8 p30 -75.4 -38.54 59.85 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 110.213 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -71.58 -36.32 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.244 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -82.92 -26.04 31.85 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.907 -1.121 . . . . 0.0 110.0 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.92 51.74 3.5 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -68.23 144.11 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.377 -1.072 . . . . 0.0 109.716 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -75.05 127.03 32.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CB ' ' NZ ' ' A' ' 46' ' ' LYS . 9.7 mtpm? -104.26 152.93 21.62 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 122.919 1.342 . . . . 0.0 112.573 -177.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -139.5 123.44 17.69 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -71.17 138.69 49.79 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.358 -176.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -112.05 153.16 27.29 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' VAL . 37.7 mm-40 -130.64 -44.06 1.1 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -34.23 -29.07 0.01 OUTLIER Glycine 0 N--CA 1.5 2.905 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 50' ' ' GLU . 88.4 t -88.94 124.41 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.1 -1.235 . . . . 0.0 109.81 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 121.75 11.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.381 -0.824 . . . . 0.0 108.941 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 152.65 -28.7 0.84 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.51 -33.68 0.57 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.9 mtpp -80.15 1.66 27.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.138 -1.213 . . . . 0.0 109.749 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.75 122.3 18.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.226 -0.921 . . . . 0.0 111.185 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.41 136.81 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.452 -0.78 . . . . 0.0 108.937 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -98.78 172.56 7.37 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.086 -1.009 . . . . 0.0 109.681 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.471 ' HH ' ' HD1' ' A' ' 36' ' ' HIS . 57.8 m-85 -127.06 151.47 48.58 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' SD ' ' A' ' 65' ' ' MET . 51.9 t0 -77.51 114.44 16.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.159 -0.963 . . . . 0.0 111.279 -178.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.5 t -63.26 -27.01 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.054 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mmt -70.6 -2.1 13.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 0.0 109.009 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 82.4 p -104.96 -11.63 16.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.643 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.33 147.43 98.22 Favored Pre-proline 0 C--N 1.307 -1.243 0 O-C-N 121.433 -0.792 . . . . 0.0 109.376 -179.583 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' THR . 89.0 Cg_exo -42.66 141.58 2.35 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.583 1.522 . . . . 0.0 111.178 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PRO . 94.1 m -40.07 -62.97 0.66 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.478 -0.764 . . . . 0.0 110.472 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -51.18 -46.99 62.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 109.494 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -59.28 -36.74 76.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 0.0 110.299 -178.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -53.93 -46.83 71.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.799 -1.188 . . . . 0.0 109.18 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -59.77 -37.34 78.78 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -64.04 -47.63 79.43 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.199 -1.0 . . . . 0.0 108.429 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.65 -52.04 31.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.4 mt -55.46 -39.32 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.177 -0.952 . . . . 0.0 108.911 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.75 -41.59 59.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.113 -0.992 . . . . 0.0 108.53 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.5 -36.43 80.48 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.61 29.93 5.74 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 N--CA 1.503 2.179 0 O-C-N 120.784 -1.421 . . . . 0.0 108.609 178.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -159.69 177.26 11.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.088 -1.008 . . . . 0.0 109.794 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 5.2 mp -142.14 159.42 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.932 0.872 . . . . 0.0 109.162 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.545 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 9.4 m95 -141.07 155.19 46.18 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.423 0.63 . . . . 0.0 109.725 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 17.3 m -150.23 156.63 41.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 110.566 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.428 ' H ' ' HG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -78.34 165.3 51.12 Favored Pre-proline 0 C--N 1.303 -1.414 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.51 -32.93 94.21 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 121.968 1.778 . . . . 0.0 111.436 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.65 -37.21 78.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 110.394 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -78.11 -37.82 45.39 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.974 -1.079 . . . . 0.0 109.271 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.38 -52.78 20.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.573 -0.705 . . . . 0.0 109.527 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -27.02 17.65 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.99 0.9 . . . . 0.0 108.748 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.49 -14.27 58.4 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.827 -0.546 . . . . 0.0 110.206 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.94 154.26 31.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.03 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' A' ' 28' ' ' MET . 6.4 m-20 -67.95 151.81 46.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.11 -23.01 2.27 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.498 ' H ' ' C ' ' A' ' 26' ' ' ASP . 9.0 mmt -92.16 138.76 24.29 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.35 -1.088 . . . . 0.0 109.258 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.7 Cg_exo -41.41 169.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.055 1.837 . . . . 0.0 112.322 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.16 36.31 3.47 Favored Glycine 0 N--CA 1.5 2.935 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.7 m -146.21 134.11 21.33 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -1.065 . . . . 0.0 109.356 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.54 -43.07 52.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 108.959 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.73 -28.68 62.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.215 -0.928 . . . . 0.0 108.703 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.16 92.33 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.89 -57.07 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -1.104 . . . . 0.0 108.849 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.52 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 66.2 m-70 -47.27 -32.62 4.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.02 -74.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.331 -0.855 . . . . 0.0 108.973 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -51.69 -31.53 26.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 109.613 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -57.27 13.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.243 -0.91 . . . . 0.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.09 -38.34 66.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.993 . . . . 0.0 109.678 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.83 -45.47 91.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.479 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -86.37 -34.27 20.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.306 -0.871 . . . . 0.0 109.893 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.92 55.61 1.6 Allowed Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -67.31 145.43 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -1.136 . . . . 0.0 109.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.4 m -74.91 119.5 19.18 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -105.8 137.32 43.88 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.196 0.998 . . . . 0.0 112.456 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 14.0 ttp180 -117.95 108.34 15.16 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.06 129.95 41.47 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -75.95 171.92 13.61 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -131.74 -58.34 0.97 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.125 -0.984 . . . . 0.0 111.142 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -3.62 1.51 Allowed Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.311 -0.868 . . . . 0.0 112.153 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.9 t -90.67 137.06 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.478 -1.601 . . . . 0.0 110.504 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 55' ' ' GLY . 39.0 mttp -51.8 173.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.764 0.792 . . . . 0.0 110.258 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.559 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.07 -30.62 0.11 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 67.63 -13.22 0.64 Allowed Glycine 0 N--CA 1.492 2.385 0 O-C-N 120.856 -1.379 . . . . 0.0 109.857 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.3 mtpp -75.95 -18.96 59.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.259 . . . . 0.0 109.141 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 120.55 7.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.758 . . . . 0.0 111.166 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p -141.45 141.03 30.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 108.842 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -100.16 168.07 10.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.355 -0.84 . . . . 0.0 109.019 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.452 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 95.7 m-85 -120.77 150.31 41.19 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' OG ' ' A' ' 64' ' ' SER . 54.8 t0 -74.07 113.64 11.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 0.0 110.973 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.93 -25.55 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -70.5 -5.48 29.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 79.6 p -102.96 -8.32 20.75 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.641 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -70.03 139.55 87.89 Favored Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 121.144 -0.973 . . . . 0.0 109.261 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' THR . 62.2 Cg_exo -39.58 143.16 0.39 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.7 1.6 . . . . 0.0 111.336 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.4 m -41.91 -65.61 0.43 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -49.11 -45.58 43.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.321 -0.862 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.73 -34.11 75.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 110.687 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -55.22 -42.81 73.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.758 -1.214 . . . . 0.0 108.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -61.58 -40.11 93.61 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -64.81 -45.66 85.26 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.411 -0.916 . . . . 0.0 108.632 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.59 -51.82 38.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 78' ' ' GLY . 36.8 mt -56.14 -45.6 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 109.023 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.29 73.6 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.694 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.55 -37.76 88.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.2 -38.86 65.97 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.91 36.82 7.06 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.497 1.892 0 O-C-N 121.213 -1.169 . . . . 0.0 108.804 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -159.12 172.84 17.37 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.302 -0.874 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.525 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 69.7 mt -143.11 160.5 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 16.1 m95 -145.91 159.38 43.31 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.493 ' HG ' ' CG2' ' A' ' 62' ' ' VAL . 57.5 m -149.29 158.34 44.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.005 -1.059 . . . . 0.0 111.006 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.14 150.54 68.41 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.33 -50.11 4.62 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.982 1.788 . . . . 0.0 112.651 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -56.39 -32.52 64.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.453 -0.779 . . . . 0.0 111.434 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -74.92 -35.35 62.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.563 -1.336 . . . . 0.0 108.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 22' ' ' ILE . 96.7 mt -77.03 -54.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 110.446 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.428 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -50.14 -26.11 4.22 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.238 -179.493 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.49 -10.63 59.44 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.746 -0.596 . . . . 0.0 110.302 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.47 157.28 22.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.663 -1.273 . . . . 0.0 109.458 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 28' ' ' MET . 2.2 m-20 -70.13 165.12 22.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.969 -1.082 . . . . 0.0 108.86 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.89 -15.85 2.16 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -89.92 151.3 45.13 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 120.97 -1.312 . . . . 0.0 109.872 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -36.19 -67.82 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.035 2.49 . . . . 0.0 112.823 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.69 14.25 4.83 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.6 m -146.71 147.74 31.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.516 -0.991 . . . . 0.0 109.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -55.3 -56.24 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.083 -1.011 . . . . 0.0 109.206 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.09 74.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.918 -1.114 . . . . 0.0 108.814 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.28 -38.33 77.68 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.27 -50.02 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.923 -1.339 . . . . 0.0 108.81 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' ND1' ' OH ' ' A' ' 60' ' ' TYR . 74.1 m-70 -59.9 -23.07 63.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.224 -0.922 . . . . 0.0 109.56 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -60.93 -75.21 0.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 108.909 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.66 -35.88 63.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.305 -0.872 . . . . 0.0 109.902 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.56 39.07 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.087 -1.008 . . . . 0.0 110.628 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.6 p30 -75.08 -44.81 45.39 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.186 -0.947 . . . . 0.0 110.076 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.5 -42.74 92.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.616 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 67.8 mt-30 -85.26 -35.5 21.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.263 -0.898 . . . . 0.0 109.547 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.61 51.53 2.49 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.406 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 41.2 m0 -66.85 147.43 53.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -1.16 . . . . 0.0 109.508 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 m -73.73 118.21 16.42 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -100.52 136.75 39.91 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.326 1.06 . . . . 0.0 112.966 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 8.6 ttm-85 -102.77 139.09 38.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -77.3 119.9 21.59 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 121.154 -0.966 . . . . 0.0 109.914 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -95.47 145.18 25.36 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 52' ' ' VAL . 16.8 mt-10 -130.7 -50.33 1.06 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.378 -0.826 . . . . 0.0 109.667 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -39.37 -25.52 0.05 OUTLIER Glycine 0 N--CA 1.498 2.801 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' GLU . 9.9 t -88.41 128.9 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.153 -1.204 . . . . 0.0 109.07 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.57 ' CB ' ' HZ1' ' A' ' 53' ' ' LYS . 3.1 ttmp? -54.53 145.58 18.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.483 -0.761 . . . . 0.0 109.28 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 115.34 -34.37 4.84 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.71 -37.5 0.37 Allowed Glycine 0 N--CA 1.493 2.443 0 O-C-N 121.207 -1.172 . . . . 0.0 110.297 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.8 mtpp -66.33 -11.22 49.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.25 . . . . 0.0 109.006 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.74 135.75 57.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.521 -0.737 . . . . 0.0 111.156 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 m -142.09 137.34 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.47 171.2 8.71 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.062 -1.024 . . . . 0.0 109.071 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 91.6 m-85 -127.14 147.86 50.17 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.424 -0.798 . . . . 0.0 109.407 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' OG ' ' A' ' 64' ' ' SER . 63.6 t0 -77.44 114.32 16.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.793 . . . . 0.0 110.377 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.493 ' CG2' ' HG ' ' A' ' 17' ' ' CYS . 43.8 t -60.76 -28.95 44.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.321 -0.862 . . . . 0.0 108.782 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmt -72.77 0.32 11.2 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 109.599 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 93.8 p -108.2 -12.04 15.15 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.369 -0.832 . . . . 0.0 109.312 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtt -74.0 147.76 86.29 Favored Pre-proline 0 N--CA 1.484 1.233 0 O-C-N 120.88 -1.138 . . . . 0.0 108.743 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 72.7 Cg_exo -41.53 139.06 2.09 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.415 1.41 . . . . 0.0 110.398 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 22.4 m -44.09 -54.7 5.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.207 -0.933 . . . . 0.0 109.86 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.66 -47.06 70.73 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.091 -1.005 . . . . 0.0 108.776 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -64.96 -53.27 49.0 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.854 . . . . 0.0 110.996 -179.051 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -56.88 -26.35 58.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.978 -1.077 . . . . 0.0 109.719 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -65.87 -37.8 87.12 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.409 HE21 ' N ' ' A' ' 72' ' ' GLN . 2.6 mm-40 -62.31 -41.04 98.2 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 t -70.71 -57.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.84 -36.56 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -0.931 . . . . 0.0 108.623 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.85 -42.85 26.47 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.431 -0.908 . . . . 0.0 108.727 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.53 -38.25 90.42 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 106.943 -1.502 . . . . 0.0 106.943 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -71.06 -38.48 72.5 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.01 40.85 7.36 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 N--CA 1.498 1.951 0 O-C-N 121.219 -1.166 . . . . 0.0 109.229 179.808 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 pttm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.645 ' HG ' ' N ' ' A' ' 15' ' ' ILE . 27.4 t -159.15 173.04 17.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.645 ' N ' ' HG ' ' A' ' 14' ' ' SER . 64.4 mt -141.59 164.66 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 21.1 m95 -148.17 153.58 38.99 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.621 -0.674 . . . . 0.0 109.718 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 m -149.65 153.47 37.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 0.0 110.648 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 p -81.5 150.99 68.06 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -41.82 -46.89 6.55 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.137 1.891 . . . . 0.0 112.865 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.561 ' NE2' ' CE ' ' A' ' 23' ' ' MET . 26.8 mm-40 -54.8 -33.17 61.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.81 -36.62 56.81 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ALA . 69.5 mt -74.88 -59.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.561 ' CE ' ' NE2' ' A' ' 20' ' ' GLN . 2.1 ptt? -52.24 -24.27 7.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.582 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -16.65 54.15 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.421 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.38 150.93 31.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.05 -1.031 . . . . 0.0 109.761 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.48 152.0 46.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.062 -1.024 . . . . 0.0 108.867 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -23.21 4.09 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' PRO . 10.5 mmt -92.61 143.35 27.01 Favored Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.229 -1.16 . . . . 0.0 109.67 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' MET . 86.8 Cg_exo -40.94 170.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.189 1.926 . . . . 0.0 112.653 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.66 7.07 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.49 138.87 26.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.454 -1.027 . . . . 0.0 109.02 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 t -54.84 -46.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.427 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.29 79.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.801 -1.187 . . . . 0.0 108.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.39 -32.65 64.43 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.5 -51.9 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.412 -1.052 . . . . 0.0 108.645 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 89.7 m-70 -64.76 -21.97 66.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.389 -0.819 . . . . 0.0 109.728 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 37.3 t80 -62.57 -76.66 0.06 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.642 ' NH1' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -55.7 -28.83 57.76 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.228 -0.92 . . . . 0.0 109.958 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.15 -49.07 72.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 110.369 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 11.5 p30 -73.14 -43.94 60.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.099 -1.001 . . . . 0.0 109.508 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 43.7 t -57.74 -43.59 84.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.566 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.642 HE21 ' NH1' ' A' ' 38' ' ' ARG . 13.1 mm-40 -87.0 -43.2 12.52 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.346 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 99.13 57.23 0.97 Allowed Glycine 0 N--CA 1.498 2.81 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -68.24 142.42 55.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.237 -1.155 . . . . 0.0 110.321 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.3 m -73.57 142.54 46.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -134.8 133.83 40.23 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.649 1.214 . . . . 0.0 111.773 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.99 137.9 39.66 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 8.3 tmtt? -72.34 123.38 22.9 Favored 'General case' 0 C--N 1.29 -2.002 0 O-C-N 121.379 -0.826 . . . . 0.0 110.121 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -103.76 153.15 21.02 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 22.5 mt-10 -131.27 -42.72 1.06 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.315 -0.865 . . . . 0.0 110.619 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.96 -35.26 0.01 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 28.6 t -91.3 143.98 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.154 -1.203 . . . . 0.0 109.929 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 52' ' ' VAL . 1.9 mtpm? -51.53 -171.04 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.722 0.772 . . . . 0.0 110.009 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.26 -46.4 1.02 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 83.94 -34.11 3.03 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -65.93 4.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.409 -1.054 . . . . 0.0 108.821 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -68.2 123.61 21.16 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.438 -0.789 . . . . 0.0 111.0 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.47 133.18 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.25 166.83 11.71 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.186 -0.946 . . . . 0.0 109.827 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.452 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 66.3 m-85 -116.47 149.21 39.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' O ' ' OG ' ' A' ' 64' ' ' SER . 49.5 t0 -79.67 110.69 15.24 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.323 -0.861 . . . . 0.0 110.778 -178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.51 -25.55 38.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.4 mmm -72.83 1.61 8.28 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.611 -0.836 . . . . 0.0 108.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 83.7 p -111.11 -11.78 14.23 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 mtt -73.69 156.7 88.27 Favored Pre-proline 0 N--CA 1.485 1.303 0 O-C-N 121.172 -0.955 . . . . 0.0 109.187 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -39.45 136.32 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.263 1.976 . . . . 0.0 111.821 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.2 m -43.41 -57.88 2.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.286 -0.884 . . . . 0.0 110.077 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -49.91 -49.55 49.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.061 -1.024 . . . . 0.0 109.233 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.72 -28.56 69.97 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 0.0 111.116 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -57.55 -61.03 2.79 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.63 -1.294 . . . . 0.0 109.926 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.95 -33.31 71.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 108.565 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.23 -51.35 61.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.951 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.46 -51.5 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 78' ' ' GLY . 68.8 mt -54.81 -38.52 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.88 74.88 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.671 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -63.06 -36.34 83.26 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.49 -39.78 67.41 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.65 33.01 9.51 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.844 -1.702 . . . . 0.0 108.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.513 -0.992 . . . . 0.0 108.864 -179.405 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.5 t -161.62 179.08 8.46 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.33 -0.856 . . . . 0.0 109.5 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.533 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 64.8 mt -142.63 163.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.533 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 21.4 m95 -146.47 155.4 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -149.64 156.67 42.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.164 -0.96 . . . . 0.0 110.674 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -79.97 145.17 60.79 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -40.24 -42.57 3.63 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.937 1.758 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -56.86 -33.03 66.4 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.497 -0.752 . . . . 0.0 111.47 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.94 -36.79 59.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.62 -1.3 . . . . 0.0 109.368 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' ALA . 53.2 mt -75.13 -54.52 13.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.417 -0.802 . . . . 0.0 110.565 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' PRO . 1.1 ptt? -52.39 -24.83 8.4 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.27 -14.38 57.47 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.737 -0.602 . . . . 0.0 109.679 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -78.75 153.0 31.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.56 149.59 48.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.445 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.74 -19.74 7.08 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.5 mmt -96.78 145.13 29.06 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.208 -1.172 . . . . 0.0 110.543 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' MET . 87.7 Cg_exo -44.95 175.14 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.908 1.738 . . . . 0.0 112.365 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.6 31.49 5.0 Favored Glycine 0 N--CA 1.499 2.855 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.715 ' HG ' ' H ' ' A' ' 34' ' ' GLY . 22.8 p -148.37 143.42 26.83 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.358 -1.083 . . . . 0.0 109.178 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.84 -53.75 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.018 -1.051 . . . . 0.0 109.491 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.72 -35.16 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.777 -1.202 . . . . 0.0 108.867 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.715 ' H ' ' HG ' ' A' ' 31' ' ' SER . . . -56.11 -35.38 64.41 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.12 -46.86 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.057 -1.261 . . . . 0.0 108.762 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.501 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 74.6 m-70 -61.38 -23.54 65.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.315 -0.866 . . . . 0.0 108.97 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 26.3 t80 -58.97 -73.86 0.08 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -56.19 -41.73 76.02 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.258 -0.901 . . . . 0.0 110.271 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -52.04 -47.76 64.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 0.0 111.133 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.9 p30 -73.81 -43.22 59.47 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.937 -1.102 . . . . 0.0 109.47 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.2 t -64.84 -39.89 87.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.756 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.543 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 32.7 mt-30 -88.22 -36.35 16.82 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 0.0 110.102 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 89.28 53.48 2.48 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.543 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 39.3 m0 -68.05 149.27 49.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -1.12 . . . . 0.0 110.472 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.4 m -74.37 152.32 39.58 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -143.89 132.92 22.83 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.638 -1.289 . . . . 0.0 113.015 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -98.3 124.94 43.19 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 126.73 31.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.309 -0.869 . . . . 0.0 111.633 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -86.49 159.39 19.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.395 -0.815 . . . . 0.0 108.919 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.2 mt-10 -131.86 -59.33 0.95 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.219 -0.926 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -44.68 -14.76 0.04 OUTLIER Glycine 0 N--CA 1.495 2.621 0 O-C-N 121.465 -0.772 . . . . 0.0 111.447 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.2 t -88.95 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.763 -1.433 . . . . 0.0 110.29 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 55' ' ' GLY . 35.5 mttt -48.97 173.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.349 -0.844 . . . . 0.0 109.189 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.68 -38.11 0.13 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 71.52 -16.24 1.38 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.2 mtpp -74.32 -17.76 60.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -1.112 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.69 133.23 17.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 110.812 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.5 m -141.04 135.33 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.516 -0.74 . . . . 0.0 109.084 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.6 171.45 9.01 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.072 -1.018 . . . . 0.0 108.932 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -125.38 147.62 49.09 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -76.98 111.62 12.73 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.862 . . . . 0.0 110.864 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.25 -27.45 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -5.33 36.18 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.0 p -105.97 -9.91 16.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.404 -0.81 . . . . 0.0 109.278 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.5 mtt -73.26 156.98 88.81 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.077 . . . . 0.0 109.801 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' THR . 88.4 Cg_exo -42.39 139.61 2.84 Favored 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.965 1.777 . . . . 0.0 111.071 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' PRO . 11.0 m -44.31 -54.91 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.284 -0.885 . . . . 0.0 109.656 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -54.15 -49.82 68.37 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.289 -0.882 . . . . 0.0 109.198 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -56.06 -40.67 73.91 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.305 -0.872 . . . . 0.0 109.906 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -52.22 -43.85 64.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.966 -1.084 . . . . 0.0 108.978 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.06 -38.65 89.6 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.51 -45.98 84.91 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.398 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -71.79 -52.58 24.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' GLY . 57.1 mt -53.03 -35.92 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.39 -0.819 . . . . 0.0 109.089 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.03 -39.64 20.98 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.358 -0.839 . . . . 0.0 108.918 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -60.52 -39.96 89.7 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.8 mt -73.4 -38.22 65.69 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 68.43 44.89 71.39 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.506 2.351 0 O-C-N 121.478 -1.013 . . . . 0.0 110.234 -179.671 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 27.4 t -161.49 -178.82 6.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.331 -0.856 . . . . 0.0 109.428 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.518 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 62.8 mt -140.45 163.67 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.518 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 33.0 m95 -146.88 159.5 43.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.793 -0.567 . . . . 0.0 109.525 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.2 m -150.12 156.94 42.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.165 -0.96 . . . . 0.0 110.869 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 156.95 77.85 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.71 -44.89 44.3 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.938 1.759 . . . . 0.0 111.23 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.33 -26.74 65.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.451 -0.781 . . . . 0.0 110.587 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -78.32 -42.49 30.54 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.788 -1.195 . . . . 0.0 109.12 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -72.2 -52.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 109.952 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -52.6 -28.77 22.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.257 -0.902 . . . . 0.0 108.994 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.67 59.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.717 -0.615 . . . . 0.0 110.07 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 146.89 29.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.784 -1.198 . . . . 0.0 109.491 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.11 160.11 16.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.763 -1.21 . . . . 0.0 108.783 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.82 -20.67 6.2 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.2 mmt -91.25 149.3 39.5 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.118 -1.225 . . . . 0.0 109.888 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -33.61 -67.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.962 2.441 . . . . 0.0 113.021 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.57 14.29 4.88 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -146.9 144.46 29.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.325 -1.103 . . . . 0.0 109.306 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.8 t -54.08 -45.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.035 -1.041 . . . . 0.0 108.749 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.43 -24.86 63.89 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.188 -0.945 . . . . 0.0 108.79 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.67 92.86 Favored Glycine 0 N--CA 1.487 2.046 0 N-CA-C 108.926 -1.669 . . . . 0.0 108.926 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.96 -53.67 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.909 -1.348 . . . . 0.0 108.917 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 85.4 m-70 -52.16 -27.9 16.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.134 -0.978 . . . . 0.0 109.251 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.9 t80 -61.31 -74.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 108.968 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -54.9 -38.23 67.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.37 -49.12 62.11 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.254 -0.904 . . . . 0.0 110.405 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -75.14 -46.49 33.96 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.015 -1.053 . . . . 0.0 109.568 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.428 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.8 t -62.17 -40.79 88.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.626 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -85.37 -40.99 15.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.155 -0.965 . . . . 0.0 109.339 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 89.16 53.51 2.49 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.95 154.33 41.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.19 -1.182 . . . . 0.0 109.237 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 m -71.94 158.52 35.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -139.22 130.72 27.13 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.639 1.209 . . . . 0.0 112.317 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.23 119.4 39.3 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -74.42 129.59 38.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.802 0.81 . . . . 0.0 111.919 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.95 161.45 15.17 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 52' ' ' VAL . 11.5 mt-10 -131.45 -60.2 0.95 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.071 -1.018 . . . . 0.0 110.76 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.04 -12.01 0.04 OUTLIER Glycine 0 N--CA 1.494 2.563 0 O-C-N 121.407 -0.808 . . . . 0.0 111.295 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.8 t -89.26 136.86 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.775 -1.427 . . . . 0.0 110.42 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' A' ' 55' ' ' GLY . 33.8 mttp -51.33 -178.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 63.36 -34.62 0.08 OUTLIER Glycine 0 N--CA 1.488 2.154 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 73.93 -28.25 0.94 Allowed Glycine 0 N--CA 1.49 2.298 0 O-C-N 120.87 -1.371 . . . . 0.0 109.852 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' H ' ' C ' ' A' ' 54' ' ' GLY . 13.7 mttm -64.86 -15.93 62.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -1.218 . . . . 0.0 109.07 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.13 116.92 2.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.542 -0.724 . . . . 0.0 111.842 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.6 m -136.19 129.67 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -90.94 173.29 8.05 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.152 -0.968 . . . . 0.0 109.4 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -128.48 149.55 50.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.417 -0.802 . . . . 0.0 109.032 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' O ' ' OG ' ' A' ' 64' ' ' SER . 63.4 t0 -80.53 115.57 20.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.533 -0.73 . . . . 0.0 110.941 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.407 ' C ' ' H ' ' A' ' 64' ' ' SER . 73.9 t -63.04 -26.58 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 108.82 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.6 mmt -70.36 0.27 6.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 60.6 p -107.59 -12.0 15.35 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.57 150.86 97.54 Favored Pre-proline 0 C--N 1.308 -1.221 0 O-C-N 121.311 -0.868 . . . . 0.0 109.222 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 86.6 Cg_exo -42.19 141.74 1.9 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.514 1.476 . . . . 0.0 110.616 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 16.9 m -44.06 -57.28 3.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.249 -0.907 . . . . 0.0 109.8 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -53.3 -46.44 69.37 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.326 -0.859 . . . . 0.0 109.369 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -61.24 -34.64 75.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.269 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -55.12 -56.86 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.901 -1.125 . . . . 0.0 109.689 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -60.24 -36.06 76.89 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -65.12 -49.01 71.59 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.307 -0.957 . . . . 0.0 108.583 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -71.29 -51.71 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.648 -0.658 . . . . 0.0 109.264 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' GLY . 33.2 mt -53.94 -31.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.058 -1.026 . . . . 0.0 108.295 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.81 45.4 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.74 -37.34 86.2 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.22 -38.37 63.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 82.58 37.4 14.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.457 -1.025 . . . . 0.0 109.423 -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -159.61 174.35 14.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.267 -0.895 . . . . 0.0 109.697 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.521 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.8 mt -140.51 163.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.521 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 23.2 m95 -147.03 157.37 43.59 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.715 -0.616 . . . . 0.0 109.599 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.5 ' HG ' ' CG2' ' A' ' 62' ' ' VAL . 33.3 m -148.78 157.4 43.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.923 . . . . 0.0 110.861 -179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -80.63 149.87 68.79 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -40.57 -54.15 2.44 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.973 1.782 . . . . 0.0 112.441 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -56.83 -27.25 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.604 -0.685 . . . . 0.0 111.591 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.46 -37.98 63.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.591 -1.318 . . . . 0.0 108.657 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.6 mt -75.34 -55.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.513 -0.742 . . . . 0.0 110.41 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.424 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -48.3 -27.55 2.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.055 -1.028 . . . . 0.0 109.537 -179.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -11.96 59.5 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.882 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.64 145.06 28.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.84 -1.163 . . . . 0.0 109.837 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.86 156.47 20.65 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.847 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.25 -16.59 33.06 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.74 149.72 38.38 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.172 -1.193 . . . . 0.0 109.931 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -35.95 -72.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.852 2.368 . . . . 0.0 113.395 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 10.89 2.58 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 t -144.01 147.37 33.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.225 -1.162 . . . . 0.0 108.941 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -56.67 -43.49 79.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.036 -1.04 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.51 77.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.042 -1.036 . . . . 0.0 108.65 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.29 58.82 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.911 -1.675 . . . . 0.0 108.911 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.24 -56.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.11 -1.23 . . . . 0.0 108.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 82.1 m-70 -52.84 -27.62 19.16 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.701 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.75 -75.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.215 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 13.4 mtp180 -53.18 -32.61 48.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.334 -0.854 . . . . 0.0 109.953 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -54.2 -54.23 42.73 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.235 -0.916 . . . . 0.0 110.78 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.84 -43.16 59.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.948 -1.095 . . . . 0.0 109.302 -179.44 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.3 t -57.46 -47.99 83.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.489 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -83.5 -34.14 25.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.368 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 87.62 55.05 2.38 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.04 148.47 51.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.098 -1.236 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.48 149.27 45.99 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' CB ' ' HZ1' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -132.35 132.95 43.4 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.383 1.087 . . . . 0.0 112.117 -178.17 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -107.44 139.31 42.13 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -73.22 132.57 43.33 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 121.301 -0.874 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 57' ' ' ALA . 50.7 tttt -117.52 147.53 42.69 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.5 mt-10 -131.65 -40.52 1.09 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.024 -1.047 . . . . 0.0 111.096 -178.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -28.93 -34.89 0.01 OUTLIER Glycine 0 N--CA 1.502 3.037 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.074 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.545 ' N ' ' O ' ' A' ' 50' ' ' GLU . 85.7 t -91.29 133.32 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.977 -1.308 . . . . 0.0 110.096 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.42 129.34 41.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.246 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.92 -36.03 1.16 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.04 -43.94 2.74 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -66.17 -5.34 9.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -1.081 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -58.44 113.19 1.86 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 111.394 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.3 m -137.8 136.53 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -94.1 172.12 8.42 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.089 -1.007 . . . . 0.0 109.807 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -127.84 151.27 49.26 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.446 -0.784 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' SD ' ' A' ' 65' ' ' MET . 39.1 t0 -82.01 116.39 21.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 111.472 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG2' ' HG ' ' A' ' 17' ' ' CYS . 72.6 t -66.4 -28.6 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 108.805 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mmm -70.85 1.7 5.18 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 62' ' ' VAL . 60.5 p -108.89 -7.29 15.48 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.635 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -71.37 148.39 93.44 Favored Pre-proline 0 C--N 1.311 -1.081 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.8 Cg_exo -40.87 133.01 2.7 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 121.325 1.35 . . . . 0.0 110.417 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 51.8 m -37.6 -57.0 0.99 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.527 -0.733 . . . . 0.0 110.462 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -53.15 -49.65 66.17 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.067 -1.021 . . . . 0.0 108.529 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 73.4 mt-10 -63.86 -52.1 61.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 111.309 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -53.31 -38.34 63.1 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.374 -1.454 . . . . 0.0 108.793 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.81 -39.28 90.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.88 -40.89 97.6 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.12 -56.47 9.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.7 mt -50.43 -29.84 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.26 -43.28 21.64 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.866 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.67 -37.01 84.75 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.2 mt -71.55 -40.19 70.19 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.3 41.65 7.84 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.5 2.048 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.736 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.337 0.589 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 14.5 t -160.99 179.82 8.14 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.295 -0.878 . . . . 0.0 109.576 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 67.5 mt -140.94 163.75 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 44.1 m95 -147.32 155.56 42.13 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 27.2 m -151.48 154.4 36.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.171 -0.955 . . . . 0.0 111.277 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 p -83.63 149.67 57.87 Favored Pre-proline 0 C--N 1.302 -1.495 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -39.25 -45.11 2.93 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.179 1.919 . . . . 0.0 112.812 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -54.17 -37.84 64.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.41 -0.807 . . . . 0.0 110.889 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -76.02 -35.04 59.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.76 -1.213 . . . . 0.0 109.032 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -75.31 -56.46 8.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.192 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -25.51 7.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 108.932 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.91 -16.83 54.52 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.06 150.34 30.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.878 -1.139 . . . . 0.0 109.903 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.43 ' O ' ' OE1' ' A' ' 72' ' ' GLN . 10.1 m-20 -65.64 150.78 47.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.977 -1.077 . . . . 0.0 108.644 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.44 -27.41 4.68 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 mmt -92.23 123.24 63.08 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.569 -0.96 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -41.79 144.6 0.86 Allowed 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.782 1.655 . . . . 0.0 112.329 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.03 38.98 3.15 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -138.02 126.29 23.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.524 -0.986 . . . . 0.0 109.109 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -52.25 -44.66 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.149 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -38.44 65.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.21 -0.931 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.7 54.77 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.86 -50.31 75.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.157 -1.202 . . . . 0.0 108.089 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.624 ' HD1' ' HH ' ' A' ' 60' ' ' TYR . 36.8 m-70 -54.97 -26.78 38.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.397 -0.814 . . . . 0.0 109.082 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.435 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.6 t80 -58.69 -76.97 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.513 HH21 HE22 ' A' ' 42' ' ' GLN . 7.7 ptm180 -56.62 -29.23 61.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.209 -0.932 . . . . 0.0 110.088 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.89 -54.75 34.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.899 -1.126 . . . . 0.0 110.657 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 10.0 p30 -74.32 -40.92 61.91 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.236 -0.915 . . . . 0.0 110.149 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.65 -37.94 81.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.083 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.513 HE22 HH21 ' A' ' 38' ' ' ARG . 87.3 mt-30 -84.14 -36.98 22.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.031 -1.043 . . . . 0.0 109.942 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 49.73 2.0 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.486 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 40.8 m0 -65.58 155.35 36.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.308 -1.113 . . . . 0.0 109.559 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.6 m -75.47 163.41 27.43 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -141.97 142.58 32.98 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 122.671 1.224 . . . . 0.0 111.39 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -127.82 127.19 43.05 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -70.94 131.67 44.06 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.877 0.846 . . . . 0.0 111.47 -177.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -111.77 142.05 44.62 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.6 mt-10 -130.67 -44.02 1.1 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.256 -0.903 . . . . 0.0 110.221 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -37.23 -25.76 0.01 OUTLIER Glycine 0 N--CA 1.499 2.835 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.8 t -88.61 142.69 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.998 -1.295 . . . . 0.0 109.391 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -51.01 171.82 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.953 -179.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 77.83 -33.77 1.66 Allowed Glycine 0 N--CA 1.486 2.005 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 69.05 -30.53 0.3 Allowed Glycine 0 N--CA 1.493 2.44 0 O-C-N 120.905 -1.35 . . . . 0.0 110.313 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.56 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.4 mttp -64.66 -2.13 2.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.064 -1.257 . . . . 0.0 109.3 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.67 128.48 36.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 111.492 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.11 130.83 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.96 164.06 12.69 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.12 -0.988 . . . . 0.0 110.005 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.624 ' HH ' ' HD1' ' A' ' 36' ' ' HIS . 96.5 m-85 -117.58 150.24 39.32 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 59.3 t0 -77.69 121.9 24.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.081 -1.012 . . . . 0.0 110.798 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG2' ' HG ' ' A' ' 17' ' ' CYS . 43.5 t -64.95 -27.28 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.5 mmt -74.64 -6.45 48.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.797 -0.564 . . . . 0.0 110.224 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 p -102.58 -5.66 23.67 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.486 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.0 mmt -72.63 150.44 91.12 Favored Pre-proline 0 C--N 1.304 -1.386 0 O-C-N 121.507 -0.746 . . . . 0.0 109.445 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' THR . 82.3 Cg_exo -41.27 139.1 1.78 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 121.607 1.538 . . . . 0.0 111.051 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 66' ' ' PRO . 15.0 m -40.87 -58.65 1.63 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.323 -0.86 . . . . 0.0 110.209 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -53.33 -47.51 69.25 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.843 . . . . 0.0 109.284 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.33 -36.94 71.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.215 -178.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' ILE . 30.3 mtt180 -54.46 -47.72 72.61 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.807 -1.183 . . . . 0.0 109.902 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.02 -58.24 9.25 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.618 -0.676 . . . . 0.0 110.105 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' A' ' 69' ' ' GLU . 10.7 pt20 -62.64 -35.86 80.95 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 118.164 -1.414 . . . . 0.0 109.429 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.33 -48.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' GLY . 50.9 mt -62.67 -37.66 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.47 72.76 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -63.19 -42.36 99.34 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.7 -34.34 69.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 79.9 37.86 21.26 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 N--CA 1.501 2.125 0 O-C-N 121.278 -1.13 . . . . 0.0 108.913 179.506 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.485 ' HG ' ' H ' ' A' ' 15' ' ' ILE . 15.9 t -160.87 175.56 12.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 109.837 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.531 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.4 mt -142.2 162.41 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.531 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 23.0 m95 -144.48 155.41 43.7 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.775 -0.578 . . . . 0.0 109.547 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.506 ' HG ' ' CG2' ' A' ' 62' ' ' VAL . 33.9 m -149.81 156.15 41.31 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.223 -0.923 . . . . 0.0 111.051 -179.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -82.0 149.82 63.79 Favored Pre-proline 0 N--CA 1.488 1.465 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.91 -43.5 6.94 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.945 1.763 . . . . 0.0 112.587 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -55.42 -39.5 70.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.526 -0.734 . . . . 0.0 111.052 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.27 -32.7 66.87 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.763 -1.21 . . . . 0.0 108.467 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.442 ' C ' ' N ' ' A' ' 24' ' ' ALA . 61.4 mt -76.92 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.685 -0.634 . . . . 0.0 110.278 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.12 -18.47 0.57 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 22' ' ' ILE . . . -80.55 -18.46 48.34 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -77.04 163.93 26.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 0.0 109.9 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' MET . 8.8 t70 -65.04 -76.21 0.08 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.382 -0.823 . . . . 0.0 111.671 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.47 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -48.15 -9.41 0.07 OUTLIER Glycine 0 N--CA 1.496 2.665 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -178.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 26' ' ' ASP . 13.1 mmt -100.59 134.35 20.67 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.218 -1.166 . . . . 0.0 110.744 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 87.0 Cg_exo -45.06 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.084 1.856 . . . . 0.0 112.73 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.94 38.69 2.61 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -145.54 134.32 22.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.389 -1.065 . . . . 0.0 108.791 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.28 -45.32 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.042 -1.036 . . . . 0.0 109.084 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.06 64.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.186 -0.946 . . . . 0.0 108.678 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.47 -40.29 92.02 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.68 -53.53 41.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.218 -1.166 . . . . 0.0 108.398 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.519 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.6 m-70 -50.38 -29.77 10.8 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.351 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -60.52 -74.99 0.07 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 34.6 ttm180 -53.74 -30.74 45.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.338 -0.851 . . . . 0.0 109.547 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -56.0 -53.33 58.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 110.519 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -73.61 -44.93 55.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 110.054 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 65.6 t -52.43 -45.91 46.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.249 -0.981 . . . . 0.0 109.172 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -86.83 -44.24 11.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 109.177 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 93.27 58.96 1.25 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 27.3 m0 -68.05 159.23 31.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.327 -1.102 . . . . 0.0 109.837 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -74.4 154.83 38.63 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -142.5 131.18 22.66 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 122.729 1.252 . . . . 0.0 112.2 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.516 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 21.1 ttm-85 -97.51 140.52 31.81 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -76.8 125.2 28.87 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.542 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -103.25 141.32 36.1 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 52' ' ' VAL . 36.2 mt-10 -126.4 -37.95 2.16 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.428 -0.795 . . . . 0.0 110.09 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.17 -35.24 0.01 OUTLIER Glycine 0 N--CA 1.502 3.097 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 50' ' ' GLU . 39.7 t -89.85 127.66 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.372 -1.075 . . . . 0.0 108.631 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -57.65 115.67 2.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.107 -0.995 . . . . 0.0 108.859 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.1 -33.47 0.3 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.87 -38.94 1.1 Allowed Glycine 0 N--CA 1.493 2.454 0 O-C-N 121.206 -1.173 . . . . 0.0 110.9 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' CB ' ' HZ1' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -77.21 -1.74 31.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.94 -1.329 . . . . 0.0 109.898 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.22 131.67 47.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.993 . . . . 0.0 110.051 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.9 m -144.73 134.71 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.364 -0.835 . . . . 0.0 109.402 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -96.18 170.1 9.49 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.198 -0.939 . . . . 0.0 109.467 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -120.77 150.4 41.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.422 -0.799 . . . . 0.0 109.438 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.456 ' O ' ' OG ' ' A' ' 64' ' ' SER . 53.2 t0 -80.06 110.97 15.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 110.211 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.506 ' CG2' ' HG ' ' A' ' 17' ' ' CYS . 98.3 t -61.15 -29.28 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.239 -0.913 . . . . 0.0 108.903 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.9 mmt -71.16 -0.48 9.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.467 -0.771 . . . . 0.0 109.214 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 90.3 p -107.98 -10.39 15.51 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 mtt -73.48 144.36 83.68 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 120.905 -1.122 . . . . 0.0 108.073 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.4 Cg_exo -42.26 139.79 2.63 Favored 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 121.005 1.137 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 9.1 m -41.15 -61.18 1.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.327 -0.858 . . . . 0.0 110.491 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -51.89 -44.99 63.99 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.929 -1.107 . . . . 0.0 109.059 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -63.7 -54.49 34.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.838 . . . . 0.0 110.446 -179.405 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -57.6 -28.56 63.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.096 -1.003 . . . . 0.0 109.812 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -62.83 -38.67 91.68 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.807 -1.183 . . . . 0.0 108.507 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 76' ' ' HIS . 32.0 mm-40 -64.39 -41.19 96.8 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.749 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' LEU . 3.2 t -71.34 -56.39 10.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.5 mt -54.32 -37.43 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.59 -42.79 33.83 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.076 -1.015 . . . . 0.0 108.571 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 72' ' ' GLN . 79.2 t60 -63.5 -33.88 76.55 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . 57.3 mt -71.69 -46.98 57.11 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.01 21.07 5.05 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.497 1.897 0 O-C-N 121.028 -1.277 . . . . 0.0 108.152 179.595 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -160.71 173.57 15.23 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.276 -0.89 . . . . 0.0 109.401 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.524 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 62.1 mt -141.84 164.87 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 32.1 m95 -148.18 153.28 38.58 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 109.776 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 6.0 m -151.81 153.9 35.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.3 -0.875 . . . . 0.0 110.782 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.418 ' OG ' ' OE2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -79.51 162.3 63.86 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.588 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.75 -35.16 97.66 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.104 1.869 . . . . 0.0 111.433 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -40.7 87.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.521 -0.737 . . . . 0.0 110.18 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -73.11 -35.13 66.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.995 -1.065 . . . . 0.0 108.961 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.526 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 86.6 mt -74.09 -58.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.71 -0.619 . . . . 0.0 111.009 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.67 -24.16 3.14 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.038 -1.039 . . . . 0.0 108.682 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -18.02 47.31 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.838 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.28 151.27 31.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.934 -1.104 . . . . 0.0 109.951 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.24 149.54 49.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.03 -25.29 6.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.526 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 12.2 mmt -93.66 136.99 23.44 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.589 -0.948 . . . . 0.0 109.467 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 79.9 Cg_exo -42.68 171.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.644 1.562 . . . . 0.0 112.083 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.33 30.98 6.95 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -143.79 139.57 29.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.358 -1.083 . . . . 0.0 109.087 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.9 t -54.39 -41.46 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.54 69.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.039 . . . . 0.0 109.551 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.01 -37.8 23.33 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.8 -57.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.212 -1.17 . . . . 0.0 108.4 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.51 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 43.8 m-70 -51.08 -25.75 5.45 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.344 -0.848 . . . . 0.0 109.637 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 31.6 t80 -61.13 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.291 -0.88 . . . . 0.0 109.312 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.617 HH21 HE22 ' A' ' 42' ' ' GLN . 7.2 ptm180 -56.06 -29.05 59.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.878 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.6 -51.34 67.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.926 -1.109 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.8 p30 -73.62 -41.99 62.06 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.079 -1.013 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.8 t -64.51 -38.96 83.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.705 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.617 HE22 HH21 ' A' ' 38' ' ' ARG . 92.3 mt-30 -85.12 -30.21 24.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.213 -0.93 . . . . 0.0 109.895 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.66 53.9 3.08 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -68.06 149.82 49.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -1.187 . . . . 0.0 109.85 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -72.55 153.77 41.14 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -142.34 131.25 22.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.756 -1.215 . . . . 0.0 111.832 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp180 -105.8 135.4 47.29 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.49 131.82 43.04 Favored 'General case' 0 C--N 1.292 -1.935 0 O-C-N 121.336 -0.853 . . . . 0.0 111.061 -178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' ALA . 47.0 tttt -119.78 126.56 51.32 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.8 mt-10 -117.58 -38.31 3.32 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.336 -0.852 . . . . 0.0 110.784 -177.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.81 -30.89 0.01 OUTLIER Glycine 0 N--CA 1.501 2.985 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 50' ' ' GLU . 46.0 t -90.15 144.65 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.082 -1.246 . . . . 0.0 110.132 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -55.63 144.89 25.1 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.48 -45.85 1.22 Allowed Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 -41.52 3.04 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.061 -1.258 . . . . 0.0 110.526 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' ALA . 23.3 mttm -66.71 -14.26 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.95 -1.324 . . . . 0.0 109.714 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -43.72 125.81 4.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.285 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.2 p -142.34 129.32 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -94.04 165.97 12.38 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.852 -1.155 . . . . 0.0 109.873 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.6 148.87 43.97 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -80.31 114.04 18.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 111.283 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.05 -27.37 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mtt -72.21 -2.57 19.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.6 p -106.91 -13.75 15.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.262 -0.899 . . . . 0.0 108.971 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mtt -72.07 158.44 87.63 Favored Pre-proline 0 N--CA 1.487 1.382 0 O-C-N 121.052 -1.03 . . . . 0.0 109.455 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.15 141.2 1.14 Allowed 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.125 1.883 . . . . 0.0 111.592 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.9 m -46.23 -56.55 5.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.074 -1.016 . . . . 0.0 109.692 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' HE21 ' A' ' 72' ' ' GLN . 16.4 mmmt -50.55 -47.45 57.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -60.03 -37.15 78.92 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 110.589 -179.083 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -54.9 -53.04 60.61 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.032 -1.042 . . . . 0.0 111.409 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.48 -55.08 35.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 110.639 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.464 ' NE2' ' OE1' ' A' ' 69' ' ' GLU . 13.7 pt20 -61.19 -38.37 86.27 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.713 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.1 t -69.45 -47.46 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 78' ' ' GLY . 39.2 mt -60.88 -42.63 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.15 85.17 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -64.36 -38.79 92.27 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -71.97 -38.53 69.72 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 86.83 34.27 11.47 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.5 2.069 0 O-C-N 121.299 -1.118 . . . . 0.0 109.254 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tttt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.446 0.641 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -161.7 169.79 20.88 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.44 -0.788 . . . . 0.0 109.091 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.504 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 63.0 mt -143.62 163.83 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.539 ' CD1' ' NH2' ' A' ' 47' ' ' ARG . 20.6 m95 -148.69 154.71 40.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.664 -0.648 . . . . 0.0 109.481 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 34.1 m -150.67 158.36 44.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.568 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.4 m -80.64 146.62 61.1 Favored Pre-proline 0 N--CA 1.488 1.452 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.55 -46.35 4.55 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 121.919 1.746 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.27 -31.82 65.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.448 -0.783 . . . . 0.0 111.161 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -74.02 -41.03 62.45 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.796 -1.19 . . . . 0.0 109.059 -179.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -74.21 -52.6 19.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 110.215 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -51.58 -23.72 4.54 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 0.0 108.448 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.06 -15.17 54.44 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.885 -0.509 . . . . 0.0 109.862 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.08 29.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.999 -1.063 . . . . 0.0 109.5 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.99 154.86 29.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.079 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.4 -17.46 24.17 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -91.82 148.79 37.85 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 109.628 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -35.57 -61.82 0.26 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.725 2.284 . . . . 0.0 113.145 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.43 17.68 8.02 Favored Glycine 0 N--CA 1.498 2.821 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -145.45 142.21 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.534 -0.98 . . . . 0.0 108.906 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.2 -55.58 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.945 -1.097 . . . . 0.0 108.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.49 74.2 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.18 -39.73 65.0 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.37 -58.35 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.13 -1.218 . . . . 0.0 108.189 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.498 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 61.2 m-70 -46.68 -38.2 9.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.299 -0.876 . . . . 0.0 109.638 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.543 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 23.8 t80 -56.49 -75.72 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.682 ' CZ ' HE21 ' A' ' 42' ' ' GLN . 0.4 OUTLIER -55.49 -32.29 62.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 110.147 179.321 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.11 78.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.824 -1.173 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.5 p30 -73.16 -43.12 61.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.03 -1.044 . . . . 0.0 109.935 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.85 -40.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.305 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.682 HE21 ' CZ ' ' A' ' 38' ' ' ARG . 29.6 mm-40 -86.16 -45.88 10.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.487 -0.758 . . . . 0.0 109.56 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.6 56.0 0.78 Allowed Glycine 0 N--CA 1.496 2.684 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -67.11 140.17 57.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.378 -1.071 . . . . 0.0 109.907 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -72.48 147.69 45.81 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -138.98 132.67 30.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.788 -1.195 . . . . 0.0 111.984 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.539 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 12.4 ttm180 -101.25 139.3 37.12 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HZ2' ' CD ' ' A' ' 50' ' ' GLU . 37.7 tttm -71.98 130.64 41.46 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 121.282 -0.886 . . . . 0.0 110.227 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 57' ' ' ALA . 56.5 tttt -114.14 143.96 43.95 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.9 mm-40 -130.63 -39.11 1.28 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.193 -0.942 . . . . 0.0 110.39 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.11 -35.37 0.01 OUTLIER Glycine 0 N--CA 1.502 3.065 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.2 t -93.18 145.27 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.208 -1.171 . . . . 0.0 109.701 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 52' ' ' VAL . 19.5 mttp -51.24 -177.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.31 -0.869 . . . . 0.0 109.295 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 83.3 -38.89 2.76 Favored Glycine 0 N--CA 1.489 2.219 0 C-N-CA 120.292 -0.956 . . . . 0.0 110.717 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.41 -35.61 0.56 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.0 mtmm -67.15 -1.89 4.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -1.15 . . . . 0.0 109.148 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -60.66 120.65 10.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.278 -0.889 . . . . 0.0 111.504 -178.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.5 m -136.04 131.85 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -95.42 166.44 11.87 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.125 -0.984 . . . . 0.0 110.018 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -117.16 149.68 39.97 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' O ' ' OG ' ' A' ' 64' ' ' SER . 48.5 t0 -79.42 114.85 18.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 111.171 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.41 -27.5 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.177 -0.952 . . . . 0.0 108.534 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.87 -4.07 18.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 83.9 p -102.63 -6.78 22.38 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.612 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.8 146.45 95.55 Favored Pre-proline 0 N--CA 1.481 1.097 0 O-C-N 121.133 -0.979 . . . . 0.0 108.618 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 69' ' ' GLU . 78.4 Cg_exo -40.87 128.82 2.78 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.249 1.299 . . . . 0.0 110.123 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 66' ' ' PRO . 27.6 m -33.02 -58.17 0.37 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.689 -0.632 . . . . 0.0 111.023 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -54.56 -45.98 73.59 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.858 -1.151 . . . . 0.0 108.698 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' PRO . 64.0 mm-40 -65.54 -49.09 70.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.535 -0.728 . . . . 0.0 112.005 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -53.89 -42.37 68.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.404 -1.435 . . . . 0.0 109.412 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.9 -38.0 89.19 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -64.16 -41.01 97.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.0 -56.88 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 78' ' ' GLY . 82.4 mt -51.11 -41.13 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.92 84.55 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.74 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -63.8 -37.81 88.75 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.3 mt -70.74 -38.76 73.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 90.06 36.2 7.28 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.518 -0.989 . . . . 0.0 108.412 -179.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.459 ' HG ' ' N ' ' A' ' 15' ' ' ILE . 24.2 t -161.86 175.23 12.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.332 -0.855 . . . . 0.0 109.743 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.8 mt -141.41 161.85 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 17.2 m95 -144.98 153.6 41.68 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 21.2 m -150.54 155.22 39.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 111.327 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.86 164.04 55.13 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 177.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.53 -33.83 98.35 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.015 1.81 . . . . 0.0 111.346 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.84 -36.22 78.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.372 -0.83 . . . . 0.0 110.594 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -77.91 -35.78 50.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.003 -1.06 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.46 -52.53 19.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -25.99 22.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -14.93 57.63 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.136 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.74 154.5 29.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.8 -1.187 . . . . 0.0 110.17 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 28' ' ' MET . 13.2 m-20 -66.95 153.64 43.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.965 -1.084 . . . . 0.0 108.678 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.03 -23.9 3.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.454 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.7 mmt -91.21 152.69 44.22 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.392 -1.063 . . . . 0.0 109.414 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.57 169.27 4.38 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.111 1.874 . . . . 0.0 111.84 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.92 36.94 3.77 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.26 133.64 21.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.92 . . . . 0.0 109.029 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.0 t -53.19 -43.42 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.154 -0.966 . . . . 0.0 109.116 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.93 72.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.247 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.29 -42.6 41.97 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.33 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.163 -1.198 . . . . 0.0 108.526 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -59.08 -25.35 63.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.282 -0.886 . . . . 0.0 109.454 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.5 t80 -59.98 -77.39 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -52.47 -41.02 62.97 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 110.138 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.25 -31.17 68.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 4.2 p30 -76.83 -44.95 30.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.775 -1.203 . . . . 0.0 109.695 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.54 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.3 p -78.37 -28.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 119.414 -0.914 . . . . 0.0 110.013 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.62 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 33.6 mt-30 -83.29 -21.85 33.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.899 -1.126 . . . . 0.0 109.066 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.03 54.58 11.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.62 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 40.6 m0 -65.3 158.39 26.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -1.176 . . . . 0.0 109.014 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.12 158.69 36.02 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -139.94 138.89 35.95 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.539 1.161 . . . . 0.0 111.658 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 5.2 ttp180 -128.63 115.97 18.87 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.16 119.93 19.04 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.59 174.06 7.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.041 -1.037 . . . . 0.0 108.442 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.625 ' C ' ' H ' ' A' ' 52' ' ' VAL . 23.6 mt-10 -131.64 -32.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.204 -0.935 . . . . 0.0 110.25 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.72 25.21 0.03 OUTLIER Glycine 0 N--CA 1.497 2.735 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.625 ' H ' ' C ' ' A' ' 50' ' ' GLU . 18.5 t -142.83 130.3 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.948 -1.324 . . . . 0.0 109.088 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.472 ' C ' ' H ' ' A' ' 55' ' ' GLY . 67.7 mttt -47.38 175.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.794 0.807 . . . . 0.0 110.044 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.586 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 71.03 -34.59 0.51 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 69.05 -25.22 0.31 Allowed Glycine 0 N--CA 1.49 2.257 0 O-C-N 120.881 -1.364 . . . . 0.0 109.722 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.586 ' H ' ' C ' ' A' ' 54' ' ' GLY . 35.2 mttm -60.86 -20.09 61.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.289 . . . . 0.0 108.494 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.55 125.29 8.15 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.512 0.672 . . . . 0.0 110.134 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -140.31 127.18 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.416 -0.803 . . . . 0.0 109.242 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 1.4 mp0 -92.56 171.52 8.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.175 -0.953 . . . . 0.0 108.722 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 27.8 m-85 -131.5 148.67 52.65 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.52 ' O ' ' SD ' ' A' ' 65' ' ' MET . 53.2 t0 -76.29 116.82 17.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.46 -25.14 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mmt -70.98 -0.23 8.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 0.0 109.128 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 p -110.65 -8.36 14.6 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.99 151.59 96.11 Favored Pre-proline 0 N--CA 1.483 1.188 0 O-C-N 121.183 -0.948 . . . . 0.0 109.935 -179.202 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -41.85 142.9 1.27 Allowed 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 121.523 1.482 . . . . 0.0 110.683 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -46.94 -51.11 17.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.939 -1.101 . . . . 0.0 108.664 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -54.75 -53.44 55.0 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.006 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.0 -35.37 69.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.22 -0.925 . . . . 0.0 110.692 -178.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -55.04 -54.26 45.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.816 -1.177 . . . . 0.0 110.798 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.44 -32.93 70.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.956 -1.09 . . . . 0.0 109.621 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -65.54 -48.45 72.39 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.558 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' LEU . 46.7 t -68.1 -54.12 24.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.62 -43.56 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.66 74.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.07 -1.018 . . . . 0.0 108.858 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.8 -37.15 86.29 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' VAL . 21.3 mt -71.57 -40.86 69.66 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.1 31.43 6.57 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.497 1.904 0 O-C-N 121.247 -1.149 . . . . 0.0 108.799 179.857 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 tttp . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.572 ' HG ' ' N ' ' A' ' 15' ' ' ILE . 29.0 t -161.01 172.34 17.05 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.494 -0.754 . . . . 0.0 109.409 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.572 ' N ' ' HG ' ' A' ' 14' ' ' SER . 63.3 mt -142.3 163.45 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.515 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 24.0 m95 -146.79 154.28 41.19 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.7 m -151.41 159.41 44.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.226 -0.921 . . . . 0.0 110.976 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.01 163.38 60.46 Favored Pre-proline 0 C--N 1.303 -1.446 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.89 -37.63 84.61 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.006 1.804 . . . . 0.0 111.667 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.94 -30.04 68.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.43 -0.794 . . . . 0.0 110.744 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.81 -40.29 40.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.895 -1.128 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.94 -51.35 27.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.588 -0.695 . . . . 0.0 110.114 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -28.6 35.6 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.323 -0.861 . . . . 0.0 108.984 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.81 -13.2 59.59 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.796 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.82 150.96 32.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.95 -1.094 . . . . 0.0 109.882 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.8 147.45 53.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.36 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.18 -23.64 5.99 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 29' ' ' PRO . 11.6 mmt -93.58 140.84 23.24 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.368 -1.078 . . . . 0.0 109.412 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 28' ' ' MET . 83.6 Cg_exo -41.89 171.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.91 1.74 . . . . 0.0 112.538 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.84 30.94 5.71 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.37 137.11 24.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.518 -0.99 . . . . 0.0 108.616 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.38 -50.13 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.19 -0.944 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.6 -40.46 79.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.051 -1.03 . . . . 0.0 108.429 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.89 -34.62 45.84 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -65.69 -63.59 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.124 -1.221 . . . . 0.0 109.072 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.476 ' ND1' ' OH ' ' A' ' 60' ' ' TYR . 47.2 m-70 -48.89 -25.64 2.02 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.573 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 20.6 t80 -61.0 -75.05 0.07 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.303 -0.873 . . . . 0.0 109.0 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.688 HH21 HE22 ' A' ' 42' ' ' GLN . 48.1 mtp180 -52.31 -35.81 51.51 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.027 . . . . 0.0 109.419 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -50.77 -54.0 27.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.427 -0.796 . . . . 0.0 110.666 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.7 p30 -74.29 -43.96 54.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.043 -1.035 . . . . 0.0 109.783 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.36 -41.59 87.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.489 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.688 HE22 HH21 ' A' ' 38' ' ' ARG . 64.4 mt-30 -86.66 -41.75 13.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 96.74 49.82 1.9 Allowed Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -65.93 148.22 52.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -1.123 . . . . 0.0 109.461 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.5 m -71.47 156.89 38.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -141.87 128.92 20.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.671 1.224 . . . . 0.0 112.303 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -101.11 128.08 47.36 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -71.22 123.62 22.63 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 121.287 -0.883 . . . . 0.0 110.28 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ALA . 57.0 tttp -104.17 136.04 44.53 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.8 mt-10 -131.0 -38.77 1.23 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.249 -0.907 . . . . 0.0 110.675 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -32.08 -32.16 0.01 OUTLIER Glycine 0 N--CA 1.503 3.137 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 41.0 t -90.61 155.05 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.196 -1.179 . . . . 0.0 109.577 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 55' ' ' GLY . 70.8 mttt -50.65 -175.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.338 -0.851 . . . . 0.0 110.11 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.557 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.66 -39.29 0.18 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 70.18 -21.62 0.51 Allowed Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.015 -1.285 . . . . 0.0 110.044 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.8 mtpp -69.82 -14.07 62.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.096 -1.238 . . . . 0.0 109.326 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -47.49 134.36 12.1 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.421 -0.799 . . . . 0.0 110.855 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.53 126.81 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -94.48 168.91 10.57 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.97 -1.081 . . . . 0.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.476 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 78.8 m-85 -124.61 150.87 45.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' SD ' ' A' ' 65' ' ' MET . 20.2 t0 -77.3 113.73 15.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.219 -0.926 . . . . 0.0 111.132 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 88.1 t -62.94 -28.96 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.7 mmt -69.73 -2.52 12.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.265 -0.897 . . . . 0.0 108.732 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 57.2 p -101.56 -15.11 17.19 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.647 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.26 147.5 98.26 Favored Pre-proline 0 C--N 1.31 -1.12 0 O-C-N 121.227 -0.92 . . . . 0.0 108.914 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -40.15 142.27 0.61 Allowed 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.766 1.644 . . . . 0.0 111.192 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -43.86 -61.73 1.34 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.282 -0.887 . . . . 0.0 110.032 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -50.58 -46.52 57.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.22 -0.925 . . . . 0.0 109.4 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -59.78 -36.75 77.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.544 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -53.84 -45.42 70.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.901 -1.125 . . . . 0.0 109.587 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.677 -0.639 . . . . 0.0 109.329 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -63.91 -44.75 91.98 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.717 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 t -70.17 -52.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.9 mt -56.7 -37.0 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.299 -0.876 . . . . 0.0 108.652 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.89 51.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.71 -40.03 63.89 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.12 35.47 7.58 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 N--CA 1.496 1.833 0 O-C-N 121.293 -1.122 . . . . 0.0 109.076 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.466 ' HG ' ' H ' ' A' ' 15' ' ' ILE . 27.5 t -161.3 175.38 12.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 109.746 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.526 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 65.5 mt -143.13 162.53 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.526 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 18.7 m95 -145.35 155.55 43.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.739 -0.601 . . . . 0.0 109.662 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.8 m -151.46 156.42 40.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 110.919 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -81.66 150.88 67.28 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -41.88 -48.18 6.14 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.13 1.886 . . . . 0.0 112.714 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -56.08 -31.42 63.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.411 -0.806 . . . . 0.0 110.841 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.83 -37.19 56.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.791 -1.193 . . . . 0.0 108.679 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.6 mt -76.17 -51.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.674 -0.641 . . . . 0.0 110.336 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ptm -51.86 -29.36 19.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.274 -0.891 . . . . 0.0 108.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.36 -12.0 59.64 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.671 -0.643 . . . . 0.0 110.295 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.76 153.17 27.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.609 -1.307 . . . . 0.0 109.815 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 28' ' ' MET . 31.2 m-20 -65.41 152.76 43.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 0.0 109.572 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.83 4.63 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.4 ' H ' ' C ' ' A' ' 26' ' ' ASP . 23.7 mmt -91.36 150.1 40.77 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.249 -1.148 . . . . 0.0 109.384 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.575 ' C ' ' H ' ' A' ' 31' ' ' SER . 47.5 Cg_endo -69.91 126.92 13.76 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.025 1.817 . . . . 0.0 112.026 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.82 30.81 0.63 Allowed Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.575 ' H ' ' C ' ' A' ' 29' ' ' PRO . 24.0 m -129.79 123.52 31.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.617 -0.931 . . . . 0.0 108.535 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 t -51.61 -40.32 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 109.493 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.89 60.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.042 -1.036 . . . . 0.0 108.862 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.49 -38.85 35.78 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.15 -51.58 69.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -1.188 . . . . 0.0 108.753 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.4 ' ND1' ' OH ' ' A' ' 60' ' ' TYR . 77.3 m-70 -56.66 -26.68 56.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.481 -0.762 . . . . 0.0 109.757 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.532 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.8 t80 -60.04 -73.23 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.597 HH21 HE22 ' A' ' 42' ' ' GLN . 7.5 ptm180 -54.81 -30.27 56.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.329 -0.857 . . . . 0.0 109.092 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.97 48.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.165 -0.96 . . . . 0.0 110.724 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 9.6 p30 -73.44 -38.43 65.52 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.143 -0.973 . . . . 0.0 109.935 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -69.2 -36.4 72.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.963 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.597 HE22 HH21 ' A' ' 38' ' ' ARG . 80.4 mt-30 -87.59 -24.66 23.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.6 51.93 3.9 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.531 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.5 m0 -67.56 144.9 55.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -1.106 . . . . 0.0 109.84 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.3 m -72.95 155.26 40.03 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -139.79 135.74 33.35 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.502 1.144 . . . . 0.0 112.176 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.4 123.9 51.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -74.43 125.8 29.34 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.521 -0.737 . . . . 0.0 111.232 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HZ2' ' CG ' ' A' ' 59' ' ' GLU . 24.6 mtpp -70.39 -178.74 1.81 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.447 -0.783 . . . . 0.0 109.033 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -131.96 -60.27 0.92 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.11 -0.994 . . . . 0.0 111.454 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.21 1.47 49.16 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 121.283 -0.885 . . . . 0.0 112.81 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.6 t -91.05 128.25 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.388 -1.654 . . . . 0.0 110.43 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 55' ' ' GLY . 30.4 mttp -53.66 -174.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.374 -0.829 . . . . 0.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.578 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.87 -31.19 0.24 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.23 -38.87 0.26 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.578 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.1 mtpp -62.5 -4.14 1.78 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.102 -1.234 . . . . 0.0 108.533 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -65.8 120.82 13.71 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.503 -0.748 . . . . 0.0 110.735 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.71 139.84 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.484 -0.76 . . . . 0.0 109.433 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.578 ' CG ' ' HZ2' ' A' ' 49' ' ' LYS . 23.3 mt-10 -92.7 173.64 7.67 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.244 -0.91 . . . . 0.0 108.647 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.4 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 73.9 m-85 -128.28 149.86 50.31 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.435 -0.79 . . . . 0.0 108.947 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -75.65 118.56 18.61 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.279 -0.888 . . . . 0.0 110.778 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.437 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 77.2 t -64.21 -30.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 121.659 0.742 . . . . 0.0 109.399 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.81 -6.12 47.21 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.638 -0.664 . . . . 0.0 110.31 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.3 p -97.63 -8.61 28.51 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.531 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 18.7 mmt -73.82 150.37 88.39 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.78 -0.575 . . . . 0.0 109.657 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 79.9 Cg_exo -41.89 141.81 1.63 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.462 1.441 . . . . 0.0 110.89 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 17.3 m -43.47 -59.27 2.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.279 -0.888 . . . . 0.0 110.052 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -51.77 -47.68 64.04 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.289 -0.882 . . . . 0.0 109.334 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -58.32 -37.19 74.6 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.474 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -54.03 -47.28 71.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.883 -1.135 . . . . 0.0 109.744 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.22 -34.7 74.02 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.503 -0.748 . . . . 0.0 109.509 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.38 -50.91 68.04 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.977 -1.089 . . . . 0.0 108.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.65 -50.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.606 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.9 mt -55.36 -35.02 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.016 . . . . 0.0 109.205 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.04 -40.46 24.18 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.133 -0.979 . . . . 0.0 108.743 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.76 -35.4 80.47 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.76 -49.74 36.27 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.16 24.96 4.61 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 79' ' ' LEU . 7.6 mp . . . . . 0 N--CA 1.505 2.324 0 O-C-N 120.798 -1.413 . . . . 0.0 108.948 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.379 0.609 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.512 ' HG ' ' H ' ' A' ' 15' ' ' ILE . 29.4 t -159.57 171.47 19.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.885 . . . . 0.0 109.409 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 69.8 mt -143.29 161.85 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.529 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 20.9 m95 -144.51 159.02 43.47 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.139 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.485 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 21.2 m -148.86 154.89 40.13 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.87 -1.144 . . . . 0.0 111.246 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -82.47 151.45 65.46 Favored Pre-proline 0 N--CA 1.489 1.477 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.027 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.04 -52.65 2.74 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.201 1.934 . . . . 0.0 112.85 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -30.99 56.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 111.04 -178.557 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -35.05 59.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.57 -1.331 . . . . 0.0 108.935 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 25' ' ' ALA . 67.9 mt -74.75 -60.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 110.221 -179.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -24.95 2.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -0.948 . . . . 0.0 109.033 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.97 -17.74 49.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -83.24 142.0 31.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.9 -1.125 . . . . 0.0 109.184 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.14 161.17 7.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.784 -1.198 . . . . 0.0 108.775 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.33 -19.81 7.96 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.457 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 29.1 mmt -92.0 148.54 37.12 Favored Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.155 -1.203 . . . . 0.0 109.682 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -35.94 -69.79 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.919 2.413 . . . . 0.0 113.46 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.27 4.01 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 108.856 -1.697 . . . . 0.0 108.856 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -144.58 136.36 25.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.415 -1.05 . . . . 0.0 108.277 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -47.71 -54.13 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.18 80.07 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.08 -1.012 . . . . 0.0 108.309 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.71 -38.7 73.6 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.734 -1.747 . . . . 0.0 108.734 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.04 -48.16 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.096 -1.238 . . . . 0.0 108.526 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.517 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 65.1 m-70 -62.69 -23.96 67.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.547 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 29.7 t80 -61.3 -74.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.341 -0.85 . . . . 0.0 109.051 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -55.62 -33.75 64.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -57.07 -49.55 75.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.947 -1.095 . . . . 0.0 110.84 -179.463 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.5 p30 -72.71 -42.57 64.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 109.524 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.3 -43.69 86.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.3 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.32 -43.09 11.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.422 -0.799 . . . . 0.0 109.707 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 94.63 58.5 1.19 Allowed Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -68.59 151.58 46.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.142 -1.211 . . . . 0.0 110.069 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -75.03 151.06 38.75 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.87 134.74 30.51 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 122.923 1.344 . . . . 0.0 112.606 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -99.34 126.04 45.12 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 47.2 tttp -74.94 124.23 26.54 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.314 -0.866 . . . . 0.0 111.151 -178.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HZ3' ' CD ' ' A' ' 59' ' ' GLU . 24.8 mtpp -71.95 173.07 8.87 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.513 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -131.61 -56.39 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.25 -0.906 . . . . 0.0 110.529 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.4 -9.23 35.79 Favored Glycine 0 N--CA 1.496 2.666 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.135 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.61 129.81 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.511 -1.582 . . . . 0.0 110.243 -179.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.531 ' C ' ' H ' ' A' ' 55' ' ' GLY . 41.0 mttp -51.23 -175.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.937 0.875 . . . . 0.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 64.26 -35.87 0.09 OUTLIER Glycine 0 N--CA 1.488 2.103 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 73.83 -27.2 0.93 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.5 mtpp -68.07 -10.76 56.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -1.147 . . . . 0.0 108.763 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.67 123.12 17.56 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.503 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.84 138.45 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.264 -0.897 . . . . 0.0 109.181 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' CD ' ' HZ3' ' A' ' 49' ' ' LYS . 43.2 mt-10 -92.27 167.98 11.64 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.184 -0.947 . . . . 0.0 108.594 179.227 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -119.16 147.42 44.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.5 -0.75 . . . . 0.0 108.996 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' O ' ' OG ' ' A' ' 64' ' ' SER . 22.9 t0 -76.27 120.09 21.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.396 -0.815 . . . . 0.0 110.989 -178.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 81.8 t -64.78 -29.77 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.335 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.7 mmt -74.08 -4.57 36.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.59 -0.694 . . . . 0.0 109.622 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 96.1 p -102.63 -6.26 22.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 mmt -71.54 152.7 93.81 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.646 -0.659 . . . . 0.0 109.537 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -44.42 142.81 4.2 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.515 1.476 . . . . 0.0 110.776 178.117 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -43.11 -60.93 1.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.311 -0.868 . . . . 0.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -52.85 -43.85 66.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -61.57 -35.24 77.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.888 -179.04 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -54.24 -59.66 4.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.07 -31.29 68.75 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -65.76 -53.41 40.84 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.636 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.53 -50.43 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.632 -0.667 . . . . 0.0 109.466 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mt -53.89 -29.16 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.17 -41.91 27.36 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -64.08 -38.0 89.48 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.445 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.2 mt -72.21 -36.64 69.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.45 43.83 9.09 Favored Glycine 0 N--CA 1.485 1.94 0 N-CA-C 106.478 -2.649 . . . . 0.0 106.478 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.432 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 29.0 t -160.22 175.2 13.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.326 -0.859 . . . . 0.0 109.672 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.534 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 66.2 mt -143.33 161.64 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.534 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.3 m95 -145.06 160.13 41.87 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.323 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 43.4 m -147.17 160.94 41.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.954 -1.091 . . . . 0.0 110.871 -178.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -78.74 145.43 66.67 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.22 -50.82 4.23 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.696 1.597 . . . . 0.0 112.658 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -61.6 -25.03 67.08 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.387 -0.82 . . . . 0.0 111.185 -178.305 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -74.61 -36.19 62.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.51 -1.369 . . . . 0.0 108.88 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.0 mt -73.64 -55.27 12.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 O-C-N 121.741 -0.599 . . . . 0.0 110.212 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' PRO . 8.5 ptt? -54.27 -21.69 9.84 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.16 -18.0 50.93 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.11 27.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.136 -0.978 . . . . 0.0 109.898 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.529 ' C ' ' H ' ' A' ' 28' ' ' MET . 22.2 m-20 -65.91 159.62 25.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.95 -1.093 . . . . 0.0 108.779 179.113 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -27.05 1.48 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.529 ' H ' ' C ' ' A' ' 26' ' ' ASP . 11.7 mmt -94.8 140.37 22.52 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.594 -0.944 . . . . 0.0 109.382 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 28' ' ' MET . 89.3 Cg_exo -44.79 179.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.899 1.733 . . . . 0.0 112.568 179.307 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.96 35.13 3.21 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -146.08 143.61 29.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.546 -0.973 . . . . 0.0 108.872 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.5 t -53.7 -50.16 52.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.221 -0.924 . . . . 0.0 109.43 -179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.32 80.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.116 -0.99 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.35 -39.21 28.29 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.89 -53.87 36.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.247 -1.149 . . . . 0.0 108.166 179.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.678 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 60.4 m-70 -55.16 -22.98 19.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.242 -0.911 . . . . 0.0 109.259 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.54 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.0 t80 -63.09 -76.48 0.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.322 -0.861 . . . . 0.0 108.906 179.298 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.567 HH21 HE22 ' A' ' 42' ' ' GLN . 53.6 mtp180 -53.78 -36.05 61.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.61 -49.38 62.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.16 -0.963 . . . . 0.0 110.403 -178.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 12.7 p30 -74.98 -43.1 55.92 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.079 -1.013 . . . . 0.0 109.739 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.34 -41.67 91.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.339 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.567 HE22 HH21 ' A' ' 38' ' ' ARG . 71.4 mt-30 -87.18 -33.61 19.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.305 -0.872 . . . . 0.0 109.633 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 84.29 54.5 2.98 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.476 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.7 m0 -65.86 147.77 52.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -1.177 . . . . 0.0 109.799 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m -71.32 154.89 41.26 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 176.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -141.37 131.67 25.05 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.632 -1.293 . . . . 0.0 112.405 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.83 134.15 47.62 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.18 128.18 34.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.315 -0.866 . . . . 0.0 110.7 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 50' ' ' GLU . 67.2 tttt -99.03 147.97 24.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.419 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' VAL . 6.2 mm-40 -129.38 -40.22 1.45 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -178.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.29 -39.26 0.02 OUTLIER Glycine 0 N--CA 1.504 3.177 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' GLU . 60.3 t -93.83 140.57 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.373 -1.075 . . . . 0.0 108.868 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -172.94 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 108.381 179.561 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 87.12 -37.87 3.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.51 -27.16 0.47 Allowed Glycine 0 N--CA 1.491 2.35 0 O-C-N 121.092 -1.24 . . . . 0.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 54' ' ' GLY . 23.5 mtpp -70.22 -17.87 63.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.312 . . . . 0.0 109.357 -179.738 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.17 130.98 7.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.31 -0.869 . . . . 0.0 110.216 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 7.4 p -146.36 126.84 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.905 . . . . 0.0 109.685 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -93.35 166.94 12.05 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.122 -0.986 . . . . 0.0 109.316 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.678 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 98.0 m-85 -121.93 149.81 42.89 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD1' ' CE2' ' A' ' 16' ' ' TRP . 2.9 t70 -78.99 120.81 24.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 111.105 -177.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 53.8 t -64.61 -29.86 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.552 -0.717 . . . . 0.0 109.097 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.3 mmt -74.66 -7.22 52.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.52 -0.737 . . . . 0.0 110.486 -178.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.6 p -98.11 -7.31 29.84 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.476 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 23.1 mmt -73.14 151.3 90.25 Favored Pre-proline 0 N--CA 1.487 1.407 0 O-C-N 121.71 -0.619 . . . . 0.0 109.709 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.33 145.65 0.87 Allowed 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.577 1.518 . . . . 0.0 111.133 178.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.9 m -47.53 -57.57 5.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.985 -1.072 . . . . 0.0 109.358 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' OE2' ' A' ' 71' ' ' GLU . 63.4 mmtt -51.26 -46.2 62.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.203 -0.936 . . . . 0.0 109.002 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.94 -32.15 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.501 -0.75 . . . . 0.0 110.44 -178.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -56.98 -64.13 0.98 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.763 -1.211 . . . . 0.0 110.061 -179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 72' ' ' GLN . 2.4 pp20? -58.52 -27.28 64.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 108.357 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 9.0 tp-100 -66.65 -53.91 28.93 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.878 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.65 -49.03 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.519 -0.738 . . . . 0.0 109.84 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' GLY . 68.7 mt -52.26 -39.83 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.909 -1.119 . . . . 0.0 108.224 179.705 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.58 -40.18 76.87 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.713 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.15 -38.69 91.98 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -71.02 -36.34 72.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.36 35.89 11.52 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.963 . . . . 0.0 109.403 -179.678 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 pttt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -160.95 175.94 11.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.099 -1.001 . . . . 0.0 110.215 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 75.1 mt -140.39 163.34 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.06 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.613 ' CD1' ' NH2' ' A' ' 47' ' ' ARG . 13.1 m95 -148.39 156.92 43.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.765 -0.584 . . . . 0.0 109.543 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.5 m -150.98 157.14 42.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.176 -0.953 . . . . 0.0 111.104 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -80.17 156.21 74.27 Favored Pre-proline 0 C--N 1.304 -1.408 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.34 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.55 -38.22 83.47 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.973 1.782 . . . . 0.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.09 -35.65 71.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.065 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -75.09 -38.52 61.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.836 -1.165 . . . . 0.0 108.67 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.56 -57.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.767 -0.583 . . . . 0.0 110.343 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -50.44 -25.73 4.27 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.07 -12.34 60.01 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.62 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.7 165.8 24.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 109.483 -179.672 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.573 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -66.04 -82.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.271 -0.893 . . . . 0.0 111.599 -179.054 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' H ' ' HG2' ' A' ' 72' ' ' GLN . . . -49.98 -4.22 0.04 OUTLIER Glycine 0 N--CA 1.496 2.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.573 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.5 mmt -97.28 143.31 25.93 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.032 -1.275 . . . . 0.0 110.786 -179.088 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' MET . 71.6 Cg_exo -45.67 177.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 121.831 1.687 . . . . 0.0 112.017 178.447 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.95 30.65 5.42 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -146.78 140.84 26.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.313 -1.11 . . . . 0.0 109.173 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.2 t -55.88 -38.69 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.15 -0.969 . . . . 0.0 109.368 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.22 -43.03 71.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.781 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.16 -32.47 20.85 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -58.91 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.11 -1.229 . . . . 0.0 108.876 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -53.36 -27.11 21.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.493 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 31.6 t80 -57.61 -76.11 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.614 HH21 HE22 ' A' ' 42' ' ' GLN . 52.7 mtp180 -47.71 -47.99 29.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -0.907 . . . . 0.0 109.895 179.279 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.65 -32.05 49.96 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 111.153 -178.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 1.2 p30 -77.1 -48.6 17.33 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.772 -1.205 . . . . 0.0 109.328 -179.144 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' ASN . 2.7 p -76.94 -32.47 19.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.985 -178.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.614 HE22 HH21 ' A' ' 38' ' ' ARG . 53.6 mt-30 -85.14 -25.26 27.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.936 -1.103 . . . . 0.0 109.494 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.5 54.02 8.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -66.96 145.67 55.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -1.157 . . . . 0.0 110.053 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.3 m -72.68 146.69 46.34 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -140.31 133.3 29.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.769 -1.207 . . . . 0.0 112.403 -178.239 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.613 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 17.6 ttm180 -98.6 125.43 43.86 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.364 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -74.23 122.58 23.05 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.3 -0.875 . . . . 0.0 110.683 -178.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HZ2' ' CD ' ' A' ' 59' ' ' GLU . 21.4 mtpp -71.15 170.01 13.87 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.309 -0.87 . . . . 0.0 108.782 178.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -132.28 -57.82 0.95 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.232 -0.917 . . . . 0.0 110.976 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.39 -8.26 24.23 Favored Glycine 0 N--CA 1.496 2.655 0 O-C-N 121.346 -0.846 . . . . 0.0 112.283 -177.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 53' ' ' LYS . 93.6 t -90.31 132.34 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.536 -1.567 . . . . 0.0 110.459 -179.268 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 55' ' ' GLY . 35.3 mttp -54.44 -167.49 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.295 -0.878 . . . . 0.0 109.868 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.37 -37.79 0.12 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.098 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 73.81 -33.11 0.88 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 54' ' ' GLY . 12.3 mttp -68.78 -13.38 62.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -1.092 . . . . 0.0 108.931 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.41 113.7 1.38 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 111.328 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.2 m -133.46 136.32 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.433 ' CD ' ' HZ2' ' A' ' 49' ' ' LYS . 23.7 mt-10 -94.8 169.42 10.16 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.851 -1.155 . . . . 0.0 108.893 179.434 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -122.32 146.87 46.91 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' O ' ' OG ' ' A' ' 64' ' ' SER . 50.6 t0 -78.1 112.24 14.84 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.24 -0.913 . . . . 0.0 111.049 -178.508 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.97 -27.79 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.57 -4.24 29.5 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.64 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 99.1 p -103.02 -18.66 14.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.25 -0.906 . . . . 0.0 109.298 179.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.48 159.21 85.68 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.029 . . . . 0.0 109.337 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -40.2 142.43 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.43 2.086 . . . . 0.0 112.024 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 m -47.81 -56.23 7.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.138 -0.976 . . . . 0.0 109.276 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -50.64 -45.22 57.67 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 108.91 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -64.3 -32.28 73.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.333 -0.854 . . . . 0.0 110.317 -179.109 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -54.81 -59.94 4.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.768 -1.207 . . . . 0.0 109.168 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.21 -29.17 69.66 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.404 ' HG2' ' H ' ' A' ' 27' ' ' GLY . 41.9 tp60 -65.14 -55.44 18.68 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 108.844 179.193 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.07 -48.52 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.731 -0.606 . . . . 0.0 109.618 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 mt -55.25 -32.68 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.3 -42.45 54.66 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.74 -36.18 80.26 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -74.0 -38.9 63.96 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.66 34.49 10.15 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.403 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.498 1.935 0 O-C-N 121.316 -1.108 . . . . 0.0 109.073 179.883 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 tttp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -163.54 172.93 13.7 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.338 -0.851 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.533 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 74.7 mt -143.23 161.3 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.533 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 17.4 m95 -145.54 156.15 43.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 28.4 m -149.81 156.67 42.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.15 -0.969 . . . . 0.0 110.694 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 m -81.28 148.54 63.53 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.93 -47.06 4.95 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.921 1.747 . . . . 0.0 112.491 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.93 -33.48 67.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.785 -178.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.52 -39.25 62.49 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.781 -1.199 . . . . 0.0 108.827 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ALA . 76.2 mt -75.64 -54.57 13.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.48 -0.762 . . . . 0.0 110.2 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -46.96 -27.67 1.36 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.237 -0.914 . . . . 0.0 109.404 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -9.28 59.79 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.733 -0.604 . . . . 0.0 110.23 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -82.45 147.71 28.58 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.784 -1.197 . . . . 0.0 109.73 -179.542 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.14 153.57 33.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.282 -0.886 . . . . 0.0 108.986 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.83 52.1 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.4 mmt -91.73 148.38 37.07 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.071 -1.252 . . . . 0.0 110.419 -179.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -37.76 -68.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 123.041 2.494 . . . . 0.0 113.17 179.462 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.5 17.73 2.59 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.713 ' HG ' ' H ' ' A' ' 34' ' ' GLY . 5.8 p -146.38 142.11 27.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -1.044 . . . . 0.0 108.871 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.36 -52.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.991 -1.068 . . . . 0.0 109.059 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.62 88.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.166 -0.959 . . . . 0.0 108.844 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.713 ' H ' ' HG ' ' A' ' 31' ' ' SER . . . -50.74 -43.9 47.68 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 179.314 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.3 t -61.12 -49.84 83.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.041 -1.27 . . . . 0.0 108.078 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -56.66 -23.24 40.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 109.241 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 19.8 t80 -61.35 -77.24 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.342 -0.849 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 5.0 ptm180 -60.14 -30.46 69.31 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.748 -1.22 . . . . 0.0 110.656 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.76 43.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.745 -1.222 . . . . 0.0 111.627 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.533 ' OD1' ' O ' ' A' ' 37' ' ' TYR . 44.1 p-10 -73.58 -30.45 63.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.912 -1.117 . . . . 0.0 110.201 -178.709 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 73.2 t -76.07 -34.19 26.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.457 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.95 -35.22 19.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.214 -0.929 . . . . 0.0 109.797 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.78 51.22 1.69 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -66.57 141.61 57.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.443 -1.034 . . . . 0.0 109.485 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.2 m -74.22 115.13 13.37 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -105.22 136.94 43.81 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.274 1.035 . . . . 0.0 112.53 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -104.0 136.53 43.47 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -70.61 132.03 44.85 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.112 -0.993 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -108.44 145.05 35.22 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.244 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' VAL . 18.3 mt-10 -130.27 -41.59 1.24 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.294 -0.878 . . . . 0.0 110.396 -178.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.74 -35.34 0.02 OUTLIER Glycine 0 N--CA 1.503 3.13 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' GLU . 10.9 t -91.3 143.59 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.317 -1.107 . . . . 0.0 108.993 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 52' ' ' VAL . 34.3 mttp -52.19 -171.64 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.83 0.824 . . . . 0.0 110.643 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.34 -45.3 0.61 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.37 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 77.88 -22.81 2.75 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.0 mtpp -69.21 -11.22 60.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.353 -1.086 . . . . 0.0 108.851 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 137.86 58.19 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.657 0.742 . . . . 0.0 110.642 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -144.74 138.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -94.38 168.85 10.62 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.991 -1.068 . . . . 0.0 109.319 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -122.16 145.3 48.32 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -77.92 113.48 15.86 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.93 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 47.6 t -60.67 -22.31 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.452 -0.78 . . . . 0.0 109.14 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mmt -77.18 -2.2 33.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.423 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.35 -17.02 14.58 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.33 -0.856 . . . . 0.0 108.903 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 mtm -72.33 148.23 90.8 Favored Pre-proline 0 N--CA 1.487 1.376 0 O-C-N 121.067 -1.021 . . . . 0.0 109.445 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -36.5 138.8 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.279 0 C-N-CA 122.609 2.206 . . . . 0.0 112.121 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -42.38 -56.88 2.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.433 -0.792 . . . . 0.0 109.987 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -52.97 -48.14 67.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.274 -0.892 . . . . 0.0 109.193 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 47.4 mt-10 -58.56 -39.93 81.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.815 -179.388 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -53.07 -43.38 66.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 108.871 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -60.41 -41.84 94.74 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.779 -0.576 . . . . 0.0 109.68 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -64.33 -44.75 90.53 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.89 -179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.7 t -70.41 -51.47 37.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.82 -41.53 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 0.0 108.892 179.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.16 -41.12 62.01 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.808 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -61.25 -37.31 82.65 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.07 -46.07 53.74 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.39 30.93 5.73 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 179.338 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.498 1.946 0 O-C-N 120.857 -1.378 . . . . 0.0 108.111 179.061 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -160.28 172.89 16.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.251 -0.905 . . . . 0.0 109.559 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 65.3 mt -142.48 161.99 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.427 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.529 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.9 m95 -146.75 153.47 40.26 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.272 0.558 . . . . 0.0 109.498 -179.242 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 11.6 m -149.34 154.82 39.55 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.278 -0.889 . . . . 0.0 111.018 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 m -83.41 147.86 54.07 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -40.6 -42.21 3.96 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.113 1.875 . . . . 0.0 112.822 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -56.0 -35.71 67.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.366 -0.834 . . . . 0.0 110.271 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -77.98 -38.16 45.73 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.018 -1.051 . . . . 0.0 108.843 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.6 mt -75.38 -54.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.662 -0.649 . . . . 0.0 110.023 -179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -52.62 -27.88 18.95 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.246 -0.909 . . . . 0.0 108.947 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.73 59.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.647 -0.658 . . . . 0.0 109.403 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.01 149.1 29.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.085 -1.01 . . . . 0.0 109.895 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.95 152.48 43.15 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.11 -0.994 . . . . 0.0 109.329 179.635 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.46 -27.17 3.75 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' PRO . 24.6 mmt -93.86 139.25 22.62 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.609 -0.936 . . . . 0.0 109.589 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.435 ' O ' ' O ' ' A' ' 28' ' ' MET . 85.8 Cg_exo -42.78 172.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.839 1.692 . . . . 0.0 112.109 178.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.7 35.89 3.9 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -147.24 142.37 27.15 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.406 -1.055 . . . . 0.0 109.128 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.05 -50.34 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.07 -1.019 . . . . 0.0 109.237 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.66 86.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.95 -1.093 . . . . 0.0 108.955 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -36.89 28.65 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.071 -1.611 . . . . 0.0 109.071 179.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -66.15 -56.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.122 -1.222 . . . . 0.0 108.528 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.533 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 78.6 m-70 -49.42 -28.29 5.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.165 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.526 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.2 t80 -59.61 -75.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.577 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -53.95 -31.73 51.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.38 -0.825 . . . . 0.0 109.795 179.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.9 -52.94 63.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 110.899 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 9.9 p30 -73.6 -42.58 61.34 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.165 -0.959 . . . . 0.0 109.882 -179.15 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.24 -42.67 80.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.605 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -88.77 -37.98 15.04 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.254 -0.904 . . . . 0.0 110.079 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.29 52.69 1.56 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.6 m0 -65.88 144.86 56.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -1.082 . . . . 0.0 110.063 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.2 m -73.34 147.01 44.81 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 177.021 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -139.1 130.53 27.06 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 122.546 1.165 . . . . 0.0 111.313 -178.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -101.07 118.81 37.74 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -70.88 116.89 11.71 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.397 -178.18 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 57' ' ' ALA . 20.2 tttt -94.48 149.5 21.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 52' ' ' VAL . 41.9 mt-10 -126.02 -41.01 1.97 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.252 -0.905 . . . . 0.0 110.166 -178.761 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.34 -35.94 0.01 OUTLIER Glycine 0 N--CA 1.502 3.07 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -178.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLU . 16.8 t -89.12 146.69 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.123 -1.222 . . . . 0.0 108.981 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' A' ' 55' ' ' GLY . 17.7 mttp -54.43 -171.43 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.824 0.821 . . . . 0.0 110.162 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.557 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.53 -32.84 0.46 Allowed Glycine 0 N--CA 1.482 1.736 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 70.15 -36.17 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 -179.573 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.1 mttt -61.5 -1.13 0.49 Allowed 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.247 -1.149 . . . . 0.0 108.884 179.648 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.534 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -61.38 110.69 1.51 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 110.874 -178.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 m -140.04 126.76 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.318 -0.864 . . . . 0.0 108.818 178.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 26.3 mp0 -97.63 168.3 10.43 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.257 -0.902 . . . . 0.0 110.499 -179.163 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -112.96 148.5 34.9 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.638 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -78.28 120.96 23.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 111.068 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.21 -25.29 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 121.706 0.765 . . . . 0.0 109.109 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.3 mmt -74.8 -4.85 40.14 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.742 -0.599 . . . . 0.0 110.231 -178.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.44 -7.87 20.61 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.07 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.503 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 20.0 mmt -73.21 150.83 89.96 Favored Pre-proline 0 C--N 1.304 -1.406 0 O-C-N 121.462 -0.773 . . . . 0.0 110.073 -179.217 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.31 144.69 1.08 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 121.543 1.495 . . . . 0.0 110.885 177.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.4 m -47.4 -58.81 3.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.83 -1.169 . . . . 0.0 109.772 -179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -50.18 -44.13 52.7 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 0.0 109.208 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.87 -36.07 82.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 0.0 110.285 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -54.47 -57.54 10.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.925 -1.11 . . . . 0.0 109.865 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.79 -38.07 86.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.73 -49.31 73.54 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.208 -0.997 . . . . 0.0 108.769 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.68 -51.67 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.499 -0.75 . . . . 0.0 109.04 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.8 mt -53.89 -31.24 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.49 -43.31 23.42 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.9 -38.24 87.64 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.65 -36.61 73.49 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.75 26.77 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.437 -1.037 . . . . 0.0 109.503 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CG ' ' H ' ' A' ' 14' ' ' SER . 27.8 tttp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.485 0.66 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.446 ' HG ' ' H ' ' A' ' 15' ' ' ILE . 20.3 t -160.69 173.53 15.31 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 109.265 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.516 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.3 mt -142.18 162.47 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.516 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.3 m95 -147.49 154.06 40.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.759 -0.588 . . . . 0.0 109.657 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 16' ' ' TRP . 37.2 m -151.45 158.3 43.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.745 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -81.35 144.36 53.52 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -39.71 -44.6 3.41 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.089 1.859 . . . . 0.0 112.738 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.41 -31.41 63.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.329 -0.857 . . . . 0.0 110.292 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.3 -40.49 51.42 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 108.825 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.32 -54.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.564 -0.71 . . . . 0.0 110.263 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -50.5 -27.33 6.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 0.0 109.2 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.34 -8.11 59.69 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 109.929 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.56 152.22 27.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.813 -1.18 . . . . 0.0 110.042 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.03 158.51 25.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.963 -1.086 . . . . 0.0 108.844 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . . . 78.54 -17.47 6.59 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.7 mmt -89.49 150.27 44.13 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 120.969 -1.312 . . . . 0.0 109.835 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -36.81 -65.67 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.885 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.17 18.01 4.33 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -145.88 145.56 30.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -1.029 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -54.48 -48.03 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.125 -0.984 . . . . 0.0 109.202 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.77 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.156 -0.965 . . . . 0.0 109.171 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.27 -43.03 42.55 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.36 -51.45 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.023 -1.281 . . . . 0.0 108.517 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 45.3 m-70 -53.14 -28.71 27.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.288 -0.883 . . . . 0.0 109.2 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.51 -73.7 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.043 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 43.8 mtp180 -54.74 -36.51 64.87 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.506 -0.746 . . . . 0.0 109.899 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.72 -57.59 7.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.381 -0.824 . . . . 0.0 111.398 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.48 -36.4 65.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.923 -1.11 . . . . 0.0 109.559 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.1 t -70.43 -42.0 78.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.218 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.447 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 75.7 mt-30 -85.41 -23.3 27.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.138 -0.976 . . . . 0.0 109.972 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 49.63 5.12 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -66.61 143.34 57.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.273 -1.133 . . . . 0.0 109.78 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 m -73.86 154.51 39.43 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -143.55 133.58 24.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.74 -1.225 . . . . 0.0 112.613 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 3.4 tpp180 -98.39 112.09 24.22 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.09 118.69 14.2 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.86 165.28 24.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.5 mt-10 -131.28 -54.72 1.03 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.325 -0.86 . . . . 0.0 110.011 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.27 -16.44 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 O-C-N 121.503 -0.748 . . . . 0.0 111.246 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 45.6 t -88.07 137.26 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.701 -1.47 . . . . 0.0 110.268 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.548 ' C ' ' H ' ' A' ' 55' ' ' GLY . 37.3 mttp -50.12 169.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.988 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.601 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.59 -30.39 0.17 Allowed Glycine 0 N--CA 1.489 2.216 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.316 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 65.11 -10.02 0.42 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.601 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.1 mtpp -73.42 -18.15 61.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 108.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.22 124.17 19.81 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.527 -0.733 . . . . 0.0 110.589 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 m -139.5 138.86 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -92.76 166.13 12.6 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.137 -0.977 . . . . 0.0 108.805 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -118.18 150.59 39.14 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' ' OG ' ' A' ' 64' ' ' SER . 41.0 t0 -77.4 106.85 9.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 110.442 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.18 -26.28 38.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.6 mmm -74.51 -2.54 26.19 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.765 . . . . 0.0 108.978 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 84.0 p -108.16 -12.51 15.09 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.469 -0.769 . . . . 0.0 109.3 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -72.83 153.84 91.15 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.936 -1.102 . . . . 0.0 109.31 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' THR . 65.6 Cg_exo -39.26 136.97 0.86 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.198 1.932 . . . . 0.0 111.613 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PRO . 74.6 m -43.85 -54.35 5.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.488 -0.758 . . . . 0.0 109.724 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -53.22 -49.82 65.99 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.003 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 27' ' ' GLY . 39.5 mm-40 -57.97 -42.35 84.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.458 -0.776 . . . . 0.0 110.148 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -50.54 -45.63 56.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.047 -1.033 . . . . 0.0 109.605 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -60.91 -38.68 86.57 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.411 -0.806 . . . . 0.0 109.293 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -63.98 -44.83 91.52 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.241 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.7 t -71.35 -54.44 17.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' GLY . 1.6 mp -54.5 -38.47 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.92 -1.112 . . . . 0.0 108.374 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.87 60.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.102 -0.998 . . . . 0.0 108.692 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -63.01 -38.45 91.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.17 -37.58 66.5 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.73 38.82 8.5 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.419 ' O ' ' OG ' ' A' ' 80' ' ' SER . 19.6 mt -95.49 -85.33 0.32 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.515 -0.991 . . . . 0.0 109.775 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 79' ' ' LEU . 4.9 p 61.55 -152.21 0.37 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.514 -0.741 . . . . 0.0 109.344 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.4 ' N ' ' OG ' ' A' ' 80' ' ' SER . 28.7 p . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.656 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.45 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.526 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.656 0 O4'-C1'-N19 110.413 3.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.577 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.655 3.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.577 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.639 1 O4'-C1'-N19 111.373 4.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.483 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.555 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.672 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.555 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.505 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.664 1 O4'-C1'-N19 111.146 4.183 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.548 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.093 1 O4'-C1'-N19 111.188 4.235 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.573 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.53 1 O4'-C1'-N19 111.602 4.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.573 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.692 3.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.527 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.638 1 O4'-C1'-N19 111.9 5.125 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.527 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.359 4.449 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.507 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.302 0 O4'-C1'-N19 110.846 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.473 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 111.413 4.517 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.69 3.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.661 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.781 0 C3'-C2'-C1' 106.888 2.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.661 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.986 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.445 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.543 1 O4'-C1'-N19 111.538 4.673 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.445 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.927 5.159 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.433 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.118 1 O4'-C1'-N19 111.138 4.173 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.567 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.093 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.567 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.275 4.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.46 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.96 3.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.879 1 O4'-C1'-N19 111.387 4.484 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.598 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.598 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.278 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.452 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.541 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.784 0 O4'-C1'-N19 110.568 3.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.541 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.456 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.693 1 O4'-C1'-N19 111.098 4.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 0 O4'-C1'-N19 110.724 3.655 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.228 0.537 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.8 t -160.15 173.36 15.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.249 -0.907 . . . . 0.0 109.54 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 74.9 mt -141.13 160.91 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.505 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 13.5 m95 -146.62 157.55 43.74 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.6 m -148.88 156.6 42.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.143 -0.973 . . . . 0.0 110.869 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 161.63 71.2 Favored Pre-proline 0 C--N 1.301 -1.524 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.6 -46.08 32.46 Favored 'Trans proline' 0 C--N 1.299 -2.067 0 C-N-CA 122.014 1.809 . . . . 0.0 111.534 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.31 -26.2 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 110.784 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.98 -40.13 47.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.759 -1.213 . . . . 0.0 109.47 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.9 mt -73.92 -50.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.512 -0.742 . . . . 0.0 110.332 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -27.28 28.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 0.0 108.761 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.96 57.79 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.96 149.21 30.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.896 -1.127 . . . . 0.0 109.39 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.8 m-20 -65.04 156.14 32.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.764 -1.21 . . . . 0.0 108.69 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.86 -23.7 2.52 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.463 ' H ' ' C ' ' A' ' 26' ' ' ASP . 13.8 mmt -94.03 143.76 26.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.263 -1.14 . . . . 0.0 109.835 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.5 Cg_exo -41.87 169.72 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 121.969 1.779 . . . . 0.0 112.24 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.2 28.83 6.42 Favored Glycine 0 N--CA 1.499 2.849 0 N-CA-C 108.606 -1.797 . . . . 0.0 108.606 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -145.23 133.7 21.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.525 -0.985 . . . . 0.0 108.785 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 t -49.77 -46.61 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.036 -1.04 . . . . 0.0 109.197 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.93 77.28 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.977 -1.077 . . . . 0.0 108.688 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -31.55 71.13 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.76 -51.62 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.39 -1.065 . . . . 0.0 108.906 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.525 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 91.7 m-70 -63.93 -19.99 65.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.264 -0.897 . . . . 0.0 109.54 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -62.05 -74.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.287 -0.883 . . . . 0.0 109.062 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.47 -38.26 68.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 0.0 109.945 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -52.59 -47.43 66.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.137 -0.977 . . . . 0.0 110.545 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 14.6 p30 -74.03 -46.58 42.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.174 -0.953 . . . . 0.0 109.544 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.1 t -64.47 -42.46 95.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.683 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 15.9 mt-30 -87.73 -28.21 21.89 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.299 -0.876 . . . . 0.0 110.0 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 79.3 60.35 2.54 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.322 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.463 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 45.3 m0 -68.4 139.99 55.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.18 -1.188 . . . . 0.0 109.352 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 m -71.12 114.51 9.25 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -102.18 137.19 40.77 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 122.506 1.146 . . . . 0.0 113.98 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 6.0 ttm-85 -96.11 140.61 30.58 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 175.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -77.69 117.8 19.45 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.108 -0.995 . . . . 0.0 110.237 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.483 ' CB ' ' HZ2' ' A' ' 49' ' ' LYS . 5.3 ttpm? -96.97 145.9 25.48 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' VAL . 26.6 mt-10 -130.95 -42.87 1.09 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.24 -0.913 . . . . 0.0 110.768 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -33.78 -29.0 0.01 OUTLIER Glycine 0 N--CA 1.501 2.993 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 50' ' ' GLU . 72.5 t -89.81 124.07 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.167 -1.196 . . . . 0.0 109.598 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.01 121.97 12.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.115 -0.991 . . . . 0.0 108.569 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 153.98 -29.12 0.73 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.38 -34.62 0.55 Allowed Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.245 -1.15 . . . . 0.0 110.279 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.3 mtpp -73.49 -3.95 30.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.255 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.93 123.92 20.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 111.436 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.7 m -145.51 133.3 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -93.37 176.75 6.27 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.125 -0.984 . . . . 0.0 109.101 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.414 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 88.4 m-85 -130.88 143.64 50.88 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.217 -0.927 . . . . 0.0 109.942 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 33.6 t0 -78.53 114.45 17.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.62 -0.675 . . . . 0.0 111.173 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 -24.83 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.431 -0.793 . . . . 0.0 109.079 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.25 -0.76 8.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 108.77 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 p -107.35 -9.41 16.04 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.648 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.84 152.37 96.05 Favored Pre-proline 0 C--N 1.307 -1.249 0 O-C-N 121.397 -0.815 . . . . 0.0 109.882 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -42.17 145.36 0.87 Allowed 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.747 1.631 . . . . 0.0 111.289 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -46.59 -59.85 2.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.172 -0.955 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -51.63 -44.89 63.08 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.328 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.77 -38.14 84.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.314 -0.866 . . . . 0.0 109.961 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -51.21 -63.01 1.27 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.912 -1.117 . . . . 0.0 109.406 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.58 -53.36 43.03 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -70.93 -51.56 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.32 -28.61 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.027 -1.046 . . . . 0.0 108.188 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.89 -39.04 24.44 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 119.473 -0.891 . . . . 0.0 108.84 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.89 -43.44 65.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.96 23.29 7.49 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 6.7 mp -92.8 -20.25 20.92 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.125 -1.221 . . . . 0.0 108.284 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 p -45.43 153.27 0.24 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.83 -0.544 . . . . 0.0 109.715 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.438 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.546 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.72 0 C3'-C2'-C1' 107.082 3.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.42 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.046 4.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.461 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.483 3.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.464 H2'' " O5'" ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.464 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 O4'-C1'-N19 110.562 3.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.497 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.497 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.109 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.422 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.612 1 O4'-C1'-N19 111.092 4.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.569 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.91 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.569 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.919 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.47 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.483 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.866 1 O4'-C1'-N19 111.863 5.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.526 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.053 1 O4'-C1'-N19 111.742 4.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.526 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.429 0 O4'-C1'-N19 110.667 3.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.481 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.507 0 O4'-C1'-N19 110.768 3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.646 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 C3'-C2'-C1' 107.106 3.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.646 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.453 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 111.742 4.928 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.453 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.556 4.695 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 1 O4'-C1'-N19 111.335 4.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.694 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.407 4.508 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.694 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.642 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.412 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.845 0 O4'-C1'-N19 110.356 3.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.412 " O4'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.549 4.741 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.626 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.122 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.626 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.347 4.434 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.51 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.433 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.47 0 O4'-C1'-N19 110.478 3.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.486 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C1'-N19 110.943 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.486 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.911 1 O4'-C1'-N19 111.487 4.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 pttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -160.52 179.93 8.19 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 109.66 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.536 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 82.3 mt -140.68 162.38 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 17.4 m95 -145.65 153.55 41.15 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.327 0.584 . . . . 0.0 109.492 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.5 m -146.76 154.92 41.96 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.401 -0.812 . . . . 0.0 110.316 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 m -80.87 149.43 67.13 Favored Pre-proline 0 N--CA 1.49 1.554 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -41.3 -44.89 5.73 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.853 1.702 . . . . 0.0 112.126 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.69 -33.94 68.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.536 -0.728 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -37.63 56.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.794 -1.191 . . . . 0.0 108.557 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ALA . 93.7 mt -75.78 -57.11 6.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.479 -0.763 . . . . 0.0 110.033 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.0 ptm -49.22 -26.73 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.105 . . . . 0.0 108.736 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.17 -14.13 56.11 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.041 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -81.61 148.26 29.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.884 -1.135 . . . . 0.0 109.072 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.35 158.55 20.2 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.001 -1.062 . . . . 0.0 109.321 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 -15.94 14.58 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.3 mmt -92.43 149.92 39.11 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.131 -1.217 . . . . 0.0 110.403 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -36.99 -63.13 0.23 Allowed 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.706 2.271 . . . . 0.0 112.744 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.38 6.0 Favored Glycine 0 N--CA 1.499 2.88 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -145.72 142.64 29.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.334 -1.098 . . . . 0.0 109.074 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.18 -48.89 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.045 -1.034 . . . . 0.0 108.706 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.36 75.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.059 -1.026 . . . . 0.0 108.589 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.87 -38.68 46.49 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.553 -1.819 . . . . 0.0 108.553 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.05 -55.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.318 -1.107 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.485 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 76.5 m-70 -53.31 -29.77 35.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.459 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.3 t80 -59.1 -76.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.434 -0.791 . . . . 0.0 108.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -53.63 -33.31 54.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 110.054 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -51.56 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 111.026 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.3 p30 -73.23 -41.81 63.32 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 109.995 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.67 -41.33 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.516 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -87.98 -39.11 14.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.439 -0.788 . . . . 0.0 109.836 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 52.99 1.53 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -66.46 147.16 53.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -1.13 . . . . 0.0 110.32 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -75.08 139.86 43.08 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -132.72 134.15 44.41 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 122.782 1.277 . . . . 0.0 111.556 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.03 118.82 35.48 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 10.4 ttpp -72.13 103.94 3.46 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 9.8 mtpp -78.81 155.66 29.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.069 -1.02 . . . . 0.0 109.075 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.3 mm-40 -131.15 -58.85 1.0 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.16 -16.82 0.04 OUTLIER Glycine 0 N--CA 1.495 2.617 0 O-C-N 121.515 -0.741 . . . . 0.0 111.269 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 5.6 t -87.67 141.39 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.794 -1.415 . . . . 0.0 109.94 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.45 169.9 0.12 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.638 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 84.8 -29.45 4.14 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 67.82 -44.22 0.29 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' GLY . 10.5 mttp -64.38 3.01 0.51 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.432 -1.04 . . . . 0.0 109.036 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -47.28 111.34 0.4 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 111.088 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.4 t -135.6 110.45 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 1.4 mp0 -94.34 170.42 9.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.976 -1.077 . . . . 0.0 109.738 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.81 147.83 45.45 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 109.49 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.5 112.12 16.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.421 -0.8 . . . . 0.0 110.681 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.76 -27.75 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.377 -0.827 . . . . 0.0 108.907 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.2 mmm -73.64 -4.16 32.57 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.418 -0.801 . . . . 0.0 109.793 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 p -102.72 -11.57 18.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.954 . . . . 0.0 109.159 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtm -75.44 154.22 85.83 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.914 -1.116 . . . . 0.0 109.45 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' THR . 91.0 Cg_exo -41.0 138.38 1.66 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.816 1.677 . . . . 0.0 110.835 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' PRO . 4.4 m -41.29 -59.95 1.4 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.338 -0.851 . . . . 0.0 110.282 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.28 -52.52 35.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.101 -0.999 . . . . 0.0 108.636 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.59 -48.51 81.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.437 -0.789 . . . . 0.0 109.058 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -53.3 56.46 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.46 -33.64 76.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.858 -1.152 . . . . 0.0 108.713 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.37 -45.45 87.68 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.08 -53.39 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.446 -0.784 . . . . 0.0 108.908 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' GLY . 96.6 mt -53.13 -37.66 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.99 67.13 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -62.33 -37.76 86.87 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.3 mt -72.82 -36.52 67.55 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 80.49 37.53 20.24 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mp -98.11 -89.13 0.3 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.653 -0.91 . . . . 0.0 108.722 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.496 ' HG ' ' H ' ' A' ' 81' ' ' THR . 7.5 t 52.61 -156.89 0.15 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.676 -0.64 . . . . 0.0 109.504 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.496 ' H ' ' HG ' ' A' ' 80' ' ' SER . 5.9 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.379 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.693 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 O4'-C1'-N19 110.416 3.271 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.592 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.054 4.067 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.592 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 110.591 3.489 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.48 H2'' " O5'" ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.693 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.48 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.743 0 O4'-C1'-N19 110.874 3.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.602 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.342 4.428 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.602 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 C3'-C2'-C1' 107.054 3.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.546 ' C2 ' ' N2 ' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.407 4.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-N19 111.702 4.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.51 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.62 4.776 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.541 ' C6 ' ' C6 ' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.918 1 O4'-C1'-N19 111.04 4.05 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.557 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.974 1 O4'-C1'-N19 112.371 5.713 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.557 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.054 1 O4'-C1'-N19 111.911 5.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.507 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.403 0 O4'-C1'-N19 110.772 3.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.611 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 C3'-C2'-C1' 107.158 3.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.611 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.926 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.526 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 112.046 5.308 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.526 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.077 1 O4'-C1'-N19 111.849 5.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.485 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.148 4.185 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.565 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.109 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.565 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.823 5.028 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.549 H2'' " O5'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.277 1 O4'-C1'-N19 111.558 4.698 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.549 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.649 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.649 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.177 1 O4'-C1'-N19 111.077 4.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.445 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.694 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.556 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.556 3.445 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.556 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.171 4.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 1 O4'-C1'-N19 111.25 4.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 0 O4'-C1'-N19 110.755 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.313 0.577 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.3 t -160.31 175.43 12.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.3 -0.875 . . . . 0.0 109.65 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.497 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 70.7 mt -139.53 164.5 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 23.7 m95 -148.91 154.79 39.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.667 -0.646 . . . . 0.0 109.432 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -148.89 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.39 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.3 m -79.38 148.26 70.05 Favored Pre-proline 0 C--N 1.302 -1.469 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -40.8 -50.45 3.99 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.847 1.698 . . . . 0.0 112.423 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -57.52 -27.23 62.4 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.468 -0.77 . . . . 0.0 111.528 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.35 -41.2 41.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.669 -1.269 . . . . 0.0 109.764 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 22' ' ' ILE . 58.4 mt -73.86 -50.98 26.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.14 29.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 0.0 108.759 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -15.16 57.57 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.818 -0.551 . . . . 0.0 109.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 148.23 32.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.83 -1.169 . . . . 0.0 109.802 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 28' ' ' MET . 66.1 m-20 -64.29 151.73 42.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.046 -1.033 . . . . 0.0 108.871 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.53 -24.78 4.12 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' PRO . 13.3 mmt -94.46 145.2 29.25 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.345 -1.091 . . . . 0.0 109.678 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' MET . 80.5 Cg_exo -43.3 174.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.108 1.872 . . . . 0.0 112.556 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.24 34.71 3.58 Favored Glycine 0 N--CA 1.499 2.868 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.44 ' OG ' ' C7 ' ' B' ' 105' ' ' ' DT' . 36.4 t -146.7 144.54 29.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -1.041 . . . . 0.0 109.474 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.8 t -56.3 -51.2 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.046 -1.034 . . . . 0.0 108.367 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.22 -29.38 69.62 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.65 64.15 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.76 -47.19 89.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.663 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 48.7 m-70 -61.09 -25.82 67.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.502 -0.749 . . . . 0.0 109.253 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.529 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 32.3 t80 -61.98 -76.23 0.06 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.607 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 29.7 mtp180 -50.61 -43.26 56.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.332 -0.855 . . . . 0.0 109.792 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.93 -31.31 62.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 111.074 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 1.9 p30 -76.81 -49.22 16.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.949 -1.094 . . . . 0.0 109.374 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.538 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.5 p -77.04 -32.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.025 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.607 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 51.4 mt-30 -85.6 -26.1 26.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.002 -1.061 . . . . 0.0 109.163 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.9 54.95 6.12 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -66.59 143.02 57.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.099 -1.236 . . . . 0.0 109.5 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -71.59 152.16 43.16 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -141.98 132.72 25.61 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.715 1.245 . . . . 0.0 112.748 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.92 136.04 38.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -72.34 125.19 26.76 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 121.273 -0.892 . . . . 0.0 110.924 -178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -97.62 141.73 30.3 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.5 mt-10 -130.13 -47.53 1.11 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.186 -0.946 . . . . 0.0 110.398 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -36.88 -27.29 0.01 OUTLIER Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 22.7 t -89.89 144.96 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.139 -1.212 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 55' ' ' GLY . 50.1 mttt -49.77 -179.5 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.342 -0.849 . . . . 0.0 109.734 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.565 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.33 -36.87 0.12 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.56 -34.36 0.27 Allowed Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.956 -1.32 . . . . 0.0 109.94 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.4 mtpp -56.22 -8.23 0.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.017 -1.284 . . . . 0.0 108.365 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.84 135.68 57.85 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.54 0.686 . . . . 0.0 110.595 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.4 m -143.33 133.94 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -89.63 167.76 12.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.074 -1.016 . . . . 0.0 108.606 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.663 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 57.8 m-85 -122.04 148.37 44.92 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' O ' ' OG ' ' A' ' 64' ' ' SER . 49.3 t0 -81.69 114.97 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.0 111.38 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.408 ' C ' ' H ' ' A' ' 64' ' ' SER . 74.8 t -64.8 -26.11 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmm -70.6 0.36 7.02 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.302 -0.874 . . . . 0.0 108.681 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 60.4 p -105.35 -12.6 15.97 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.64 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.7 152.93 96.44 Favored Pre-proline 0 N--CA 1.484 1.257 0 O-C-N 121.259 -0.901 . . . . 0.0 109.614 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 74.6 Cg_exo -40.89 136.31 2.07 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.693 1.595 . . . . 0.0 110.908 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 60.4 m -42.42 -56.89 2.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.187 -0.946 . . . . 0.0 110.107 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -52.34 -46.08 65.93 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 108.986 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -62.48 -34.39 76.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.352 -0.843 . . . . 0.0 110.834 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -53.03 -55.44 23.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.906 -1.121 . . . . 0.0 109.508 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.12 -34.56 75.17 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.14 -50.49 65.81 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.649 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.52 -51.29 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.671 -0.643 . . . . 0.0 109.339 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' GLY . 61.4 mt -53.82 -31.14 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 108.25 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.37 -39.38 39.43 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.865 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -62.52 -39.47 93.65 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -72.74 -37.28 67.77 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 78.34 40.09 20.61 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 80' ' ' SER . 16.9 mt -99.37 -91.27 0.29 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.55 -0.971 . . . . 0.0 109.155 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.554 ' OG ' ' N ' ' A' ' 81' ' ' THR . 1.0 OUTLIER 164.4 -177.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.694 -0.629 . . . . 0.0 109.419 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.554 ' N ' ' OG ' ' A' ' 80' ' ' SER . 44.1 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.313 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.566 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.498 3.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.566 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.729 ' H73' ' OP2' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.712 0 C3'-C2'-C1' 107.356 3.326 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.559 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.078 4.098 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.568 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.574 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.699 3.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.574 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.979 3.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.47 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.719 1 O4'-C1'-N19 111.369 4.462 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.522 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.187 4.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.522 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.755 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.649 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.453 4.566 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.649 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.606 4.757 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.443 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.214 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.595 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.015 4.018 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.595 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.56 3.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.641 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 C3'-C2'-C1' 107.298 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.641 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 110.774 3.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.535 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.776 1 O4'-C1'-N19 111.704 4.88 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.535 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.211 1 O4'-C1'-N19 111.648 4.81 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.897 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.663 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.006 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.663 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.847 1 O4'-C1'-N19 111.407 4.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.194 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.422 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.622 1 O4'-C1'-N19 111.064 4.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.584 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.452 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.584 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.012 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.502 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.994 3.993 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.402 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.402 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.025 4.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.5 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -160.21 173.08 16.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.517 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 75.7 mt -142.32 162.32 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.4 m95 -145.92 152.74 39.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.403 0.62 . . . . 0.0 109.67 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.9 m -148.8 153.62 38.38 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.302 -0.874 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.46 160.15 70.7 Favored Pre-proline 0 C--N 1.303 -1.431 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.32 -31.24 84.05 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.019 1.813 . . . . 0.0 110.761 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.21 -38.56 89.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.646 -0.659 . . . . 0.0 110.05 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 mp0 -76.38 -37.44 57.17 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.037 -1.039 . . . . 0.0 109.035 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 25' ' ' ALA . 66.5 mt -74.0 -55.65 11.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 110.048 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -27.83 7.12 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 108.542 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -16.86 52.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.7 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.2 153.0 30.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.015 -1.053 . . . . 0.0 109.194 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 28' ' ' MET . 73.3 m-20 -66.04 158.03 29.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.854 -1.154 . . . . 0.0 109.446 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.9 -24.67 2.32 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.507 ' H ' ' C ' ' A' ' 26' ' ' ASP . 22.9 mmt -95.03 134.17 25.15 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.634 -0.921 . . . . 0.0 109.996 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.1 Cg_exo -44.13 176.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.655 1.57 . . . . 0.0 112.095 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.17 36.78 3.49 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 108.701 -1.76 . . . . 0.0 108.701 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -143.61 131.5 21.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.517 -0.99 . . . . 0.0 108.939 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.5 t -51.61 -37.64 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.959 . . . . 0.0 109.245 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.09 64.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.174 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.89 -39.95 41.19 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.936 -1.665 . . . . 0.0 108.936 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.57 -55.87 19.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.314 -1.109 . . . . 0.0 108.566 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.5 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 91.2 m-70 -52.57 -26.76 14.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.438 -0.789 . . . . 0.0 109.529 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.527 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.2 t80 -60.08 -76.53 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -57.22 -30.4 64.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.143 -0.973 . . . . 0.0 110.233 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.92 71.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.998 -1.063 . . . . 0.0 110.577 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.0 p30 -73.74 -40.75 63.29 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.212 -0.93 . . . . 0.0 109.797 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.95 -36.52 77.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.368 -0.832 . . . . 0.0 109.704 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.25 -39.67 17.49 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.301 -0.874 . . . . 0.0 109.691 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.73 50.75 1.62 Allowed Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.234 -1.547 . . . . 0.0 109.234 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -67.97 142.69 55.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -1.075 . . . . 0.0 109.993 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 m -72.48 148.73 44.81 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.96 136.31 30.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.72 -1.237 . . . . 0.0 112.941 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 9.1 tpp180 -90.14 105.99 18.18 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -68.74 113.73 6.46 Favored 'General case' 0 C--N 1.291 -1.967 0 O-C-N 121.358 -0.839 . . . . 0.0 109.943 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' CD ' ' OE1' ' A' ' 59' ' ' GLU . 18.7 mtpp -87.66 150.77 23.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.255 -0.903 . . . . 0.0 109.293 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.6 mt-10 -131.33 -54.05 1.03 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 110.319 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.42 -8.5 0.04 OUTLIER Glycine 0 N--CA 1.495 2.624 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.6 t -88.1 149.97 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.931 -1.334 . . . . 0.0 109.99 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -52.78 142.08 19.77 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 56.79 69.23 1.34 Allowed Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.641 -2.184 . . . . 0.0 107.641 -178.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . -42.76 -10.53 0.01 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 54' ' ' GLY . 18.3 mttp -52.91 -10.64 0.18 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.71 -1.465 . . . . 0.0 108.238 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.29 131.19 50.01 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.689 0.757 . . . . 0.0 111.12 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.405 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 6.4 m -143.05 128.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -92.22 164.98 13.35 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.347 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.78 146.67 41.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.53 -0.731 . . . . 0.0 109.625 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.44 112.75 15.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.57 -0.706 . . . . 0.0 110.509 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -25.81 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.361 -0.837 . . . . 0.0 108.749 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.9 mmt -72.58 -4.64 31.97 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.353 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.5 p -104.37 -13.71 16.01 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -71.75 156.59 90.98 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.49 142.61 0.64 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.201 1.934 . . . . 0.0 111.842 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 m -45.73 -59.79 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.146 -0.972 . . . . 0.0 109.928 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -50.43 -44.7 55.39 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.226 -0.921 . . . . 0.0 109.227 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.55 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.385 -0.822 . . . . 0.0 110.236 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -54.26 -61.14 2.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.869 -1.144 . . . . 0.0 109.777 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.84 -31.42 70.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 108.867 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -65.15 -52.13 57.02 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.167 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.69 -49.9 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.2 mt -53.61 -37.06 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.62 66.49 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -65.07 -35.56 81.53 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.24 -40.74 74.29 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.02 23.89 7.92 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 6.5 mp -92.23 -26.36 18.21 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.109 -1.23 . . . . 0.0 108.709 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.2 p -55.3 -172.26 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.535 -0.728 . . . . 0.0 109.285 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.547 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.458 3.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 1 O4'-C1'-N19 111.042 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.513 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 C3'-C2'-C1' 107.205 3.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.017 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.543 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.935 3.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.527 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.06 4.075 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.104 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.447 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.576 ' N3 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.643 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.37 1 O4'-C1'-N19 111.828 5.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.643 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.051 4.064 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.44 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 112.116 5.395 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.467 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.186 1 O4'-C1'-N19 111.504 4.631 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.563 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.539 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.563 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.537 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.971 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.65 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.724 0 C3'-C2'-C1' 106.934 3.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.65 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.113 4.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.455 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-N19 111.923 5.154 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.452 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.954 1 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.535 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.535 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.835 5.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.434 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O4'-C1'-N19 110.909 3.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.5 1 O4'-C1'-N19 111.712 4.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.652 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.988 3.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.652 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.566 4.707 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.613 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.838 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.613 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C1'-N19 110.642 3.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.47 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.104 0 O4'-C1'-N19 110.695 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.47 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.74 1 O4'-C1'-N19 111.649 4.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 pttt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -159.16 174.74 14.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.982 -1.074 . . . . 0.0 109.67 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.544 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 5.0 mp -143.3 160.59 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.823 0.82 . . . . 0.0 109.297 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 16.8 m95 -142.72 155.55 44.89 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.0 m -150.89 158.03 43.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.183 -0.948 . . . . 0.0 110.987 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 146.71 56.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -40.78 -39.35 3.09 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.046 1.831 . . . . 0.0 113.132 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -56.32 -37.76 70.37 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.293 -0.88 . . . . 0.0 111.024 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.46 -35.58 63.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.752 -1.218 . . . . 0.0 108.945 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.59 -50.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.664 -0.647 . . . . 0.0 110.384 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -53.17 -28.07 24.55 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.13 -0.981 . . . . 0.0 109.057 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.66 -14.04 57.15 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.59 150.33 31.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.938 -1.101 . . . . 0.0 109.913 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.529 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.9 m-20 -65.92 157.87 29.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.906 -1.121 . . . . 0.0 108.785 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.52 -25.94 1.65 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.529 ' H ' ' C ' ' A' ' 26' ' ' ASP . 23.4 mmt -95.34 137.92 22.0 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.592 -0.946 . . . . 0.0 109.449 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' MET . 91.8 Cg_exo -40.48 168.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 122.051 1.834 . . . . 0.0 112.495 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.51 29.54 7.82 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.441 ' HG ' ' C7 ' ' B' ' 105' ' ' ' DT' . 0.0 OUTLIER -144.11 139.59 28.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.681 -0.893 . . . . 0.0 108.687 -179.515 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.0 t -55.08 -46.22 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.9 . . . . 0.0 109.894 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.69 84.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 0.0 109.609 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.1 -36.0 20.33 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.02 -58.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.175 -1.191 . . . . 0.0 108.826 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 90.2 m-70 -50.53 -21.5 1.54 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 12.2 t80 -63.02 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.45 -0.781 . . . . 0.0 109.054 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 8.5 ptm180 -57.34 -28.5 63.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.133 -0.979 . . . . 0.0 110.138 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.3 72.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.927 -1.108 . . . . 0.0 110.583 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.7 p30 -73.41 -39.89 64.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.667 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.01 -37.53 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.825 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.486 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 33.8 mt-30 -86.04 -29.06 23.73 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.185 -0.947 . . . . 0.0 109.511 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.34 54.89 2.86 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.488 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 40.1 m0 -66.91 143.01 57.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -1.168 . . . . 0.0 109.399 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.8 m -73.16 117.06 14.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -104.99 137.93 41.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.211 1.005 . . . . 0.0 112.515 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -111.52 138.73 47.66 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -72.27 132.42 44.03 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.259 -0.9 . . . . 0.0 110.362 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -109.71 150.26 28.55 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.5 mt-10 -130.49 -43.35 1.14 Allowed 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.177 -0.952 . . . . 0.0 110.896 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.51 -35.92 0.02 OUTLIER Glycine 0 N--CA 1.502 3.055 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' GLU . 48.7 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.191 -1.182 . . . . 0.0 110.156 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.568 ' NZ ' ' N3 ' ' B' ' 113' ' ' ' DA' . 6.9 mttm -53.75 -166.27 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.834 0.826 . . . . 0.0 110.287 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.582 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.09 -29.28 0.19 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 66.99 -34.09 0.19 Allowed Glycine 0 N--CA 1.492 2.379 0 O-C-N 120.8 -1.412 . . . . 0.0 110.052 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.582 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.3 mtpp -62.04 -8.58 5.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.033 -1.275 . . . . 0.0 109.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.76 129.67 23.4 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 0.0 110.485 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.8 p -144.78 127.97 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.66 165.39 12.34 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.926 -1.109 . . . . 0.0 109.985 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -118.52 146.84 44.23 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -77.15 119.2 20.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.284 -0.885 . . . . 0.0 111.069 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.56 -28.88 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.548 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -74.62 -6.23 47.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.8 -0.563 . . . . 0.0 110.095 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.8 p -100.52 -6.54 25.29 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.488 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.8 mmt -72.44 150.24 91.49 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.661 -0.65 . . . . 0.0 109.872 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 143.31 0.77 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.524 1.482 . . . . 0.0 110.876 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -44.75 -60.57 1.96 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.057 -1.027 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -52.04 -43.69 63.89 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.312 -0.867 . . . . 0.0 109.44 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.71 -36.67 79.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.269 -0.894 . . . . 0.0 110.002 -179.247 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -52.62 -62.24 1.77 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.936 -1.102 . . . . 0.0 109.748 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -57.98 -32.95 68.38 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.22 -52.45 47.79 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.647 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.87 -48.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.738 -0.601 . . . . 0.0 109.952 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.0 -35.99 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.963 -1.085 . . . . 0.0 108.406 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.56 -40.63 49.18 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.18 -38.88 90.77 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -72.6 -46.37 54.51 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.81 37.72 4.1 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.032 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 4.2 mm? -86.3 -55.35 3.95 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.584 -1.539 . . . . 0.0 108.409 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.4 p -70.73 -158.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.415 -0.803 . . . . 0.0 109.082 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.275 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.634 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.67 0 C3'-C2'-C1' 106.951 3.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.487 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.672 0 O4'-C1'-N19 110.853 3.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.526 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.801 0 C3'-C2'-C1' 107.224 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.526 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.942 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.539 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.542 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.539 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.539 1 O4'-C1'-N19 111.102 4.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.532 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.129 0 O4'-C1'-N19 110.499 3.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.492 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.61 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.625 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.258 1 O4'-C1'-N19 111.495 4.619 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.625 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.57 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.201 4.251 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.57 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.159 1 O4'-C1'-N19 111.687 4.859 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.589 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.589 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.231 4.289 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.423 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.678 3.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.674 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 C3'-C2'-C1' 106.778 2.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.674 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.758 3.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.493 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.493 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.324 4.406 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.657 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.055 0 O4'-C1'-N19 110.74 3.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.657 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.806 1 O4'-C1'-N19 111.095 4.118 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.46 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.401 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.453 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.711 3.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.619 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.619 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.391 4.489 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.476 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.487 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.54 3.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.51 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.425 3.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.51 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.258 4.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.552 3.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 17.2 t -160.85 -178.84 7.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.53 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 5.0 mp -140.61 160.35 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 0.0 109.365 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.53 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 22.9 m95 -143.22 151.2 40.33 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.9 m -152.51 156.51 39.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.317 -0.864 . . . . 0.0 111.111 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.18 163.65 56.34 Favored Pre-proline 0 C--N 1.303 -1.444 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.42 -31.3 94.57 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 121.999 1.799 . . . . 0.0 111.402 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.72 -38.61 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 109.901 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -77.3 -38.0 51.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.038 -1.039 . . . . 0.0 108.827 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.41 -56.14 9.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.605 -0.684 . . . . 0.0 109.557 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.451 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -52.13 -24.22 6.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.33 -13.47 59.62 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.811 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.52 162.76 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 109.693 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.56 ' C ' ' H ' ' A' ' 28' ' ' MET . 62.1 m-20 -63.94 -80.62 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.303 -0.873 . . . . 0.0 112.255 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.72 -6.42 0.04 OUTLIER Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.56 ' H ' ' C ' ' A' ' 26' ' ' ASP . 14.2 mmt -97.11 153.04 38.62 Favored Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.258 . . . . 0.0 110.187 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' MET . 22.3 Cg_endo -61.69 173.25 2.99 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.187 1.925 . . . . 0.0 111.57 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.75 36.13 3.89 Favored Glycine 0 N--CA 1.499 2.899 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -144.21 129.65 18.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.486 -1.008 . . . . 0.0 108.724 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 t -51.77 -31.78 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.135 -0.978 . . . . 0.0 109.17 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -40.31 41.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.248 -0.907 . . . . 0.0 109.159 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.27 -44.67 52.33 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.24 -55.43 24.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.149 -1.206 . . . . 0.0 108.352 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.471 ' HD1' ' HH ' ' A' ' 60' ' ' TYR . 76.5 m-70 -49.99 -25.08 2.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.345 -0.847 . . . . 0.0 109.301 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 13.8 t80 -61.65 -77.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 0.0 109.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -27.83 64.63 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.237 -0.914 . . . . 0.0 109.673 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.11 -54.03 35.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.801 -1.187 . . . . 0.0 110.115 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.8 p30 -75.4 -38.54 59.85 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 110.213 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -71.58 -36.32 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.244 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -82.92 -26.04 31.85 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.907 -1.121 . . . . 0.0 110.0 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.92 51.74 3.5 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -68.23 144.11 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.377 -1.072 . . . . 0.0 109.716 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -75.05 127.03 32.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CB ' ' NZ ' ' A' ' 46' ' ' LYS . 9.7 mtpm? -104.26 152.93 21.62 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 122.919 1.342 . . . . 0.0 112.573 -177.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -139.5 123.44 17.69 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -71.17 138.69 49.79 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.358 -176.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -112.05 153.16 27.29 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' VAL . 37.7 mm-40 -130.64 -44.06 1.1 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -34.23 -29.07 0.01 OUTLIER Glycine 0 N--CA 1.5 2.905 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 50' ' ' GLU . 88.4 t -88.94 124.41 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.1 -1.235 . . . . 0.0 109.81 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 121.75 11.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.381 -0.824 . . . . 0.0 108.941 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 152.65 -28.7 0.84 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.51 -33.68 0.57 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.9 mtpp -80.15 1.66 27.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.138 -1.213 . . . . 0.0 109.749 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.75 122.3 18.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.226 -0.921 . . . . 0.0 111.185 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.41 136.81 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.452 -0.78 . . . . 0.0 108.937 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -98.78 172.56 7.37 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.086 -1.009 . . . . 0.0 109.681 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.471 ' HH ' ' HD1' ' A' ' 36' ' ' HIS . 57.8 m-85 -127.06 151.47 48.58 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' SD ' ' A' ' 65' ' ' MET . 51.9 t0 -77.51 114.44 16.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.159 -0.963 . . . . 0.0 111.279 -178.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.5 t -63.26 -27.01 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.054 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mmt -70.6 -2.1 13.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 0.0 109.009 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 82.4 p -104.96 -11.63 16.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.643 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.33 147.43 98.22 Favored Pre-proline 0 C--N 1.307 -1.243 0 O-C-N 121.433 -0.792 . . . . 0.0 109.376 -179.583 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' THR . 89.0 Cg_exo -42.66 141.58 2.35 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.583 1.522 . . . . 0.0 111.178 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PRO . 94.1 m -40.07 -62.97 0.66 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.478 -0.764 . . . . 0.0 110.472 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -51.18 -46.99 62.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 109.494 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -59.28 -36.74 76.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 0.0 110.299 -178.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -53.93 -46.83 71.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.799 -1.188 . . . . 0.0 109.18 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -59.77 -37.34 78.78 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -64.04 -47.63 79.43 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.199 -1.0 . . . . 0.0 108.429 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.65 -52.04 31.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.4 mt -55.46 -39.32 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.177 -0.952 . . . . 0.0 108.911 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.75 -41.59 59.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.113 -0.992 . . . . 0.0 108.53 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.5 -36.43 80.48 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.61 29.93 5.74 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.413 ' O ' ' OG ' ' A' ' 80' ' ' SER . 7.6 mp -90.77 -83.96 0.25 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.784 -1.421 . . . . 0.0 108.609 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 79' ' ' LEU . 11.7 p 56.37 -179.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.512 -0.743 . . . . 0.0 109.578 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.493 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.439 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.732 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.525 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.186 4.233 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.525 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.821 3.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.298 0 C3'-C2'-C1' 107.073 3.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.549 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.549 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.369 4.461 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.553 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.101 0 O4'-C1'-N19 110.808 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.553 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.531 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.231 4.288 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.552 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.52 4.649 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.552 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.029 4.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.534 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.971 5.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.535 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.644 4.805 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.535 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.181 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.418 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.547 1 O4'-C1'-N19 111.009 4.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.005 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.653 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.653 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.222 4.278 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.419 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.855 5.069 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.439 H2'' " O5'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.343 1 O4'-C1'-N19 111.662 4.828 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.439 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.334 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.531 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.531 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.494 ' N4 ' ' C5 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.756 0 O4'-C1'-N19 110.662 3.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 1 O4'-C1'-N19 111.756 4.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.614 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.562 0 O4'-C1'-N19 110.759 3.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.614 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.14 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.22 0 O4'-C1'-N19 110.323 3.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.597 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.597 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.507 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.422 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.448 4.56 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -159.69 177.26 11.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.088 -1.008 . . . . 0.0 109.794 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 5.2 mp -142.14 159.42 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.932 0.872 . . . . 0.0 109.162 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.545 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 9.4 m95 -141.07 155.19 46.18 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.423 0.63 . . . . 0.0 109.725 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 17.3 m -150.23 156.63 41.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 110.566 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.428 ' H ' ' HG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -78.34 165.3 51.12 Favored Pre-proline 0 C--N 1.303 -1.414 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.51 -32.93 94.21 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 121.968 1.778 . . . . 0.0 111.436 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.65 -37.21 78.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 110.394 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -78.11 -37.82 45.39 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.974 -1.079 . . . . 0.0 109.271 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.38 -52.78 20.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.573 -0.705 . . . . 0.0 109.527 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -27.02 17.65 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.99 0.9 . . . . 0.0 108.748 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.49 -14.27 58.4 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.827 -0.546 . . . . 0.0 110.206 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.94 154.26 31.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.03 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' A' ' 28' ' ' MET . 6.4 m-20 -67.95 151.81 46.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.11 -23.01 2.27 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.498 ' H ' ' C ' ' A' ' 26' ' ' ASP . 9.0 mmt -92.16 138.76 24.29 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.35 -1.088 . . . . 0.0 109.258 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.7 Cg_exo -41.41 169.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.055 1.837 . . . . 0.0 112.322 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.16 36.31 3.47 Favored Glycine 0 N--CA 1.5 2.935 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.7 m -146.21 134.11 21.33 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -1.065 . . . . 0.0 109.356 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.54 -43.07 52.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 108.959 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.73 -28.68 62.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.215 -0.928 . . . . 0.0 108.703 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.16 92.33 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.89 -57.07 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -1.104 . . . . 0.0 108.849 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.52 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 66.2 m-70 -47.27 -32.62 4.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.02 -74.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.331 -0.855 . . . . 0.0 108.973 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -51.69 -31.53 26.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 109.613 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -57.27 13.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.243 -0.91 . . . . 0.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.09 -38.34 66.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.993 . . . . 0.0 109.678 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.83 -45.47 91.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.479 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -86.37 -34.27 20.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.306 -0.871 . . . . 0.0 109.893 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.92 55.61 1.6 Allowed Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -67.31 145.43 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -1.136 . . . . 0.0 109.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.4 m -74.91 119.5 19.18 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -105.8 137.32 43.88 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.196 0.998 . . . . 0.0 112.456 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 14.0 ttp180 -117.95 108.34 15.16 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.06 129.95 41.47 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -75.95 171.92 13.61 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -131.74 -58.34 0.97 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.125 -0.984 . . . . 0.0 111.142 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -3.62 1.51 Allowed Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.311 -0.868 . . . . 0.0 112.153 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.9 t -90.67 137.06 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.478 -1.601 . . . . 0.0 110.504 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 55' ' ' GLY . 39.0 mttp -51.8 173.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.764 0.792 . . . . 0.0 110.258 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.559 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.07 -30.62 0.11 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 67.63 -13.22 0.64 Allowed Glycine 0 N--CA 1.492 2.385 0 O-C-N 120.856 -1.379 . . . . 0.0 109.857 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.3 mtpp -75.95 -18.96 59.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.259 . . . . 0.0 109.141 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 120.55 7.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.758 . . . . 0.0 111.166 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p -141.45 141.03 30.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 108.842 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -100.16 168.07 10.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.355 -0.84 . . . . 0.0 109.019 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.452 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 95.7 m-85 -120.77 150.31 41.19 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' OG ' ' A' ' 64' ' ' SER . 54.8 t0 -74.07 113.64 11.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 0.0 110.973 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.93 -25.55 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -70.5 -5.48 29.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 79.6 p -102.96 -8.32 20.75 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.641 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -70.03 139.55 87.89 Favored Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 121.144 -0.973 . . . . 0.0 109.261 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' THR . 62.2 Cg_exo -39.58 143.16 0.39 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.7 1.6 . . . . 0.0 111.336 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.4 m -41.91 -65.61 0.43 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -49.11 -45.58 43.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.321 -0.862 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.73 -34.11 75.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 110.687 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -55.22 -42.81 73.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.758 -1.214 . . . . 0.0 108.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -61.58 -40.11 93.61 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -64.81 -45.66 85.26 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.411 -0.916 . . . . 0.0 108.632 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.59 -51.82 38.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 78' ' ' GLY . 36.8 mt -56.14 -45.6 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 109.023 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.29 73.6 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.694 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.55 -37.76 88.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.2 -38.86 65.97 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.91 36.82 7.06 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mt -90.98 -74.98 0.48 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.213 -1.169 . . . . 0.0 108.804 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.2 m -115.59 175.37 5.55 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.615 -0.678 . . . . 0.0 109.186 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.536 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.719 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.681 0 C3'-C2'-C1' 107.157 3.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.403 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.612 1 O4'-C1'-N19 111.468 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.466 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.663 0 C3'-C2'-C1' 107.188 3.206 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.466 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.837 3.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.429 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.254 0 O4'-C1'-N19 110.982 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.509 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 111.41 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.509 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.495 3.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.44 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.296 4.371 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.553 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.629 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.437 1 O4'-C1'-N19 111.615 4.768 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.629 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.564 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.467 1 O4'-C1'-N19 112.315 5.644 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.564 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.86 5.075 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.473 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.373 0 O4'-C1'-N19 110.694 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.5 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.035 4.044 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.5 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.755 ' H6 ' " O5'" ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 C3'-C2'-C1' 106.977 3.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.646 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.41 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.971 5.214 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.096 1 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.544 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.28 4.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.544 " O5'" H2'' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.368 4.459 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.478 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.283 4.353 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.475 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.7 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.675 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.567 3.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.675 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.849 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.511 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.162 0 O4'-C1'-N19 110.399 3.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.511 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.393 0 O4'-C1'-N19 110.509 3.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.478 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.561 1 O4'-C1'-N19 111.41 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.406 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.595 1 O4'-C1'-N19 111.244 4.306 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.805 3.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -159.12 172.84 17.37 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.302 -0.874 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.525 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 69.7 mt -143.11 160.5 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 16.1 m95 -145.91 159.38 43.31 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.493 ' HG ' ' CG2' ' A' ' 62' ' ' VAL . 57.5 m -149.29 158.34 44.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.005 -1.059 . . . . 0.0 111.006 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.14 150.54 68.41 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.33 -50.11 4.62 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.982 1.788 . . . . 0.0 112.651 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.442 ' NE2' ' OP1' ' C' ' 128' ' ' ' DT' . 72.4 mt-30 -56.39 -32.52 64.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.453 -0.779 . . . . 0.0 111.434 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -74.92 -35.35 62.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.563 -1.336 . . . . 0.0 108.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 22' ' ' ILE . 96.7 mt -77.03 -54.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 110.446 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.428 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -50.14 -26.11 4.22 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.238 -179.493 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.49 -10.63 59.44 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.746 -0.596 . . . . 0.0 110.302 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.47 157.28 22.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.663 -1.273 . . . . 0.0 109.458 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 28' ' ' MET . 2.2 m-20 -70.13 165.12 22.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.969 -1.082 . . . . 0.0 108.86 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.89 -15.85 2.16 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -89.92 151.3 45.13 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 120.97 -1.312 . . . . 0.0 109.872 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -36.19 -67.82 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.035 2.49 . . . . 0.0 112.823 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.69 14.25 4.83 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.6 m -146.71 147.74 31.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.516 -0.991 . . . . 0.0 109.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -55.3 -56.24 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.083 -1.011 . . . . 0.0 109.206 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.09 74.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.918 -1.114 . . . . 0.0 108.814 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.28 -38.33 77.68 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.27 -50.02 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.923 -1.339 . . . . 0.0 108.81 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.444 ' ND1' ' OH ' ' A' ' 60' ' ' TYR . 74.1 m-70 -59.9 -23.07 63.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.224 -0.922 . . . . 0.0 109.56 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -60.93 -75.21 0.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 108.909 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.66 -35.88 63.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.305 -0.872 . . . . 0.0 109.902 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.56 39.07 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.087 -1.008 . . . . 0.0 110.628 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.6 p30 -75.08 -44.81 45.39 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.186 -0.947 . . . . 0.0 110.076 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.5 -42.74 92.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.616 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 67.8 mt-30 -85.26 -35.5 21.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.263 -0.898 . . . . 0.0 109.547 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.61 51.53 2.49 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 41.2 m0 -66.85 147.43 53.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -1.16 . . . . 0.0 109.508 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 m -73.73 118.21 16.42 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -100.52 136.75 39.91 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.326 1.06 . . . . 0.0 112.966 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 8.6 ttm-85 -102.77 139.09 38.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -77.3 119.9 21.59 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 121.154 -0.966 . . . . 0.0 109.914 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -95.47 145.18 25.36 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 52' ' ' VAL . 16.8 mt-10 -130.7 -50.33 1.06 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.378 -0.826 . . . . 0.0 109.667 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -39.37 -25.52 0.05 OUTLIER Glycine 0 N--CA 1.498 2.801 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' GLU . 9.9 t -88.41 128.9 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.153 -1.204 . . . . 0.0 109.07 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.57 ' CB ' ' HZ1' ' A' ' 53' ' ' LYS . 3.1 ttmp? -54.53 145.58 18.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.483 -0.761 . . . . 0.0 109.28 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 115.34 -34.37 4.84 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.71 -37.5 0.37 Allowed Glycine 0 N--CA 1.493 2.443 0 O-C-N 121.207 -1.172 . . . . 0.0 110.297 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.8 mtpp -66.33 -11.22 49.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.25 . . . . 0.0 109.006 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.74 135.75 57.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.521 -0.737 . . . . 0.0 111.156 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 m -142.09 137.34 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.47 171.2 8.71 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.062 -1.024 . . . . 0.0 109.071 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.444 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 91.6 m-85 -127.14 147.86 50.17 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.424 -0.798 . . . . 0.0 109.407 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' OG ' ' A' ' 64' ' ' SER . 63.6 t0 -77.44 114.32 16.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.793 . . . . 0.0 110.377 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.493 ' CG2' ' HG ' ' A' ' 17' ' ' CYS . 43.8 t -60.76 -28.95 44.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.321 -0.862 . . . . 0.0 108.782 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmt -72.77 0.32 11.2 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 109.599 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 93.8 p -108.2 -12.04 15.15 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.369 -0.832 . . . . 0.0 109.312 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtt -74.0 147.76 86.29 Favored Pre-proline 0 N--CA 1.484 1.233 0 O-C-N 120.88 -1.138 . . . . 0.0 108.743 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 72.7 Cg_exo -41.53 139.06 2.09 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.415 1.41 . . . . 0.0 110.398 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 22.4 m -44.09 -54.7 5.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.207 -0.933 . . . . 0.0 109.86 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.66 -47.06 70.73 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.091 -1.005 . . . . 0.0 108.776 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -64.96 -53.27 49.0 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.854 . . . . 0.0 110.996 -179.051 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -56.88 -26.35 58.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.978 -1.077 . . . . 0.0 109.719 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -65.87 -37.8 87.12 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.409 HE21 ' N ' ' A' ' 72' ' ' GLN . 2.6 mm-40 -62.31 -41.04 98.2 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 t -70.71 -57.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.84 -36.56 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -0.931 . . . . 0.0 108.623 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.85 -42.85 26.47 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.431 -0.908 . . . . 0.0 108.727 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.53 -38.25 90.42 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 106.943 -1.502 . . . . 0.0 106.943 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -71.06 -38.48 72.5 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.01 40.85 7.36 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -90.58 -76.03 0.45 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.219 -1.166 . . . . 0.0 109.229 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.3 t -56.63 -174.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.301 -0.874 . . . . 0.0 109.237 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.472 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.514 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.85 3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.587 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.793 0 O4'-C1'-N19 110.552 3.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.587 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.061 1 O4'-C1'-N19 111.171 4.214 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.645 ' H73' ' OP2' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.051 0 C3'-C2'-C1' 107.136 3.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.461 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.466 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.024 0 O4'-C1'-N19 110.774 3.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.466 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.529 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.378 1 O4'-C1'-N19 111.133 4.167 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.529 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.339 1 O4'-C1'-N19 111.165 4.207 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.499 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.61 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.663 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.61 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.552 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.357 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.539 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.539 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.683 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.888 0 C3'-C2'-C1' 106.828 2.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.683 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.479 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.86 1 O4'-C1'-N19 111.543 4.678 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.479 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.498 4.622 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.576 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.867 1 O4'-C1'-N19 111.129 4.161 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.576 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.486 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.424 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.486 " O4'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.349 1 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.633 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.633 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.368 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.455 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.042 1 O4'-C1'-N19 111.123 4.153 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.598 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.834 0 O4'-C1'-N19 110.411 3.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.598 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C1'-N19 110.977 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.451 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.68 1 O4'-C1'-N19 111.092 4.114 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 pttm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.645 ' HG ' ' N ' ' A' ' 15' ' ' ILE . 27.4 t -159.15 173.04 17.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.645 ' N ' ' HG ' ' A' ' 14' ' ' SER . 64.4 mt -141.59 164.66 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 21.1 m95 -148.17 153.58 38.99 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.621 -0.674 . . . . 0.0 109.718 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 m -149.65 153.47 37.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 0.0 110.648 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 p -81.5 150.99 68.06 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -41.82 -46.89 6.55 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.137 1.891 . . . . 0.0 112.865 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.561 ' NE2' ' CE ' ' A' ' 23' ' ' MET . 26.8 mm-40 -54.8 -33.17 61.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.81 -36.62 56.81 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ALA . 69.5 mt -74.88 -59.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.561 ' CE ' ' NE2' ' A' ' 20' ' ' GLN . 2.1 ptt? -52.24 -24.27 7.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.582 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -16.65 54.15 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.421 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.38 150.93 31.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.05 -1.031 . . . . 0.0 109.761 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.48 152.0 46.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.062 -1.024 . . . . 0.0 108.867 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -23.21 4.09 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' PRO . 10.5 mmt -92.61 143.35 27.01 Favored Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.229 -1.16 . . . . 0.0 109.67 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' MET . 86.8 Cg_exo -40.94 170.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.189 1.926 . . . . 0.0 112.653 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.66 7.07 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.444 ' OG ' ' C7 ' ' B' ' 105' ' ' ' DT' . 0.3 OUTLIER -145.49 138.87 26.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.454 -1.027 . . . . 0.0 109.02 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 t -54.84 -46.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.427 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.29 79.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.801 -1.187 . . . . 0.0 108.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.39 -32.65 64.43 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.5 -51.9 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.412 -1.052 . . . . 0.0 108.645 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 89.7 m-70 -64.76 -21.97 66.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.389 -0.819 . . . . 0.0 109.728 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 37.3 t80 -62.57 -76.66 0.06 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.642 ' NH1' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -55.7 -28.83 57.76 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.228 -0.92 . . . . 0.0 109.958 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.15 -49.07 72.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 110.369 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 11.5 p30 -73.14 -43.94 60.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.099 -1.001 . . . . 0.0 109.508 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 43.7 t -57.74 -43.59 84.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.566 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.642 HE21 ' NH1' ' A' ' 38' ' ' ARG . 13.1 mm-40 -87.0 -43.2 12.52 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.346 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 99.13 57.23 0.97 Allowed Glycine 0 N--CA 1.498 2.81 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -68.24 142.42 55.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.237 -1.155 . . . . 0.0 110.321 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.3 m -73.57 142.54 46.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -134.8 133.83 40.23 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.649 1.214 . . . . 0.0 111.773 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.99 137.9 39.66 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 8.3 tmtt? -72.34 123.38 22.9 Favored 'General case' 0 C--N 1.29 -2.002 0 O-C-N 121.379 -0.826 . . . . 0.0 110.121 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -103.76 153.15 21.02 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 22.5 mt-10 -131.27 -42.72 1.06 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.315 -0.865 . . . . 0.0 110.619 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.96 -35.26 0.01 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 28.6 t -91.3 143.98 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.154 -1.203 . . . . 0.0 109.929 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.588 ' NZ ' ' N3 ' ' B' ' 113' ' ' ' DA' . 1.9 mtpm? -51.53 -171.04 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.722 0.772 . . . . 0.0 110.009 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.26 -46.4 1.02 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 83.94 -34.11 3.03 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.605 ' HZ2' ' N2 ' ' B' ' 110' ' ' ' DG' . 19.8 mtmm -65.93 4.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.409 -1.054 . . . . 0.0 108.821 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -68.2 123.61 21.16 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.438 -0.789 . . . . 0.0 111.0 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.47 133.18 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.25 166.83 11.71 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.186 -0.946 . . . . 0.0 109.827 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.452 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 66.3 m-85 -116.47 149.21 39.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' O ' ' OG ' ' A' ' 64' ' ' SER . 49.5 t0 -79.67 110.69 15.24 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.323 -0.861 . . . . 0.0 110.778 -178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.51 -25.55 38.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.4 mmm -72.83 1.61 8.28 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.611 -0.836 . . . . 0.0 108.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 83.7 p -111.11 -11.78 14.23 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 mtt -73.69 156.7 88.27 Favored Pre-proline 0 N--CA 1.485 1.303 0 O-C-N 121.172 -0.955 . . . . 0.0 109.187 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -39.45 136.32 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.263 1.976 . . . . 0.0 111.821 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.2 m -43.41 -57.88 2.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.286 -0.884 . . . . 0.0 110.077 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -49.91 -49.55 49.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.061 -1.024 . . . . 0.0 109.233 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.72 -28.56 69.97 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 0.0 111.116 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -57.55 -61.03 2.79 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.63 -1.294 . . . . 0.0 109.926 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.95 -33.31 71.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 108.565 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.23 -51.35 61.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.951 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.46 -51.5 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.621 ' CG2' ' H ' ' A' ' 80' ' ' SER . 68.8 mt -54.81 -38.52 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.88 74.88 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.671 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -63.06 -36.34 83.26 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.49 -39.78 67.41 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.65 33.01 9.51 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.844 -1.702 . . . . 0.0 108.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 80' ' ' SER . 5.0 mp -95.26 -85.96 0.31 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.513 -0.992 . . . . 0.0 108.864 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.621 ' H ' ' CG2' ' A' ' 74' ' ' ILE . 51.8 p 46.79 -171.61 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.558 -0.714 . . . . 0.0 109.895 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.404 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.349 3.186 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.54 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.54 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.479 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.553 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.553 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O4'-C1'-N19 110.559 3.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.507 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.661 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.605 ' N2 ' ' HZ2' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O4'-C1'-N19 111.29 4.363 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.544 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.78 4.975 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.544 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 111.011 4.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.588 ' N3 ' ' NZ ' ' A' ' 53' ' ' LYS . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.595 4.744 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.548 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.574 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.51 0 O4'-C1'-N19 110.786 3.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.574 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.341 4.427 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.629 3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.675 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 C3'-C2'-C1' 106.928 3.02 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.675 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.911 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.481 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.84 1 O4'-C1'-N19 112.131 5.414 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.481 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.465 1 O4'-C1'-N19 111.411 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 111.16 4.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.684 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.364 4.455 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.684 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.137 4.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.431 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.322 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.5 ' O2 ' ' CE ' ' A' ' 56' ' ' LYS . . . . . . . . 1 C5'--C4' 1.544 4.089 1 O4'-C1'-N19 111.256 4.32 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.645 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.798 3.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.645 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.351 4.439 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.463 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.975 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.554 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.562 3.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.554 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.168 4.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.743 3.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.5 t -161.62 179.08 8.46 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.33 -0.856 . . . . 0.0 109.5 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.533 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 64.8 mt -142.63 163.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.533 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 21.4 m95 -146.47 155.4 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -149.64 156.67 42.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.164 -0.96 . . . . 0.0 110.674 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -79.97 145.17 60.79 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -40.24 -42.57 3.63 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.937 1.758 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -56.86 -33.03 66.4 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.497 -0.752 . . . . 0.0 111.47 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.94 -36.79 59.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.62 -1.3 . . . . 0.0 109.368 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' ALA . 53.2 mt -75.13 -54.52 13.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.417 -0.802 . . . . 0.0 110.565 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' PRO . 1.1 ptt? -52.39 -24.83 8.4 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.27 -14.38 57.47 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.737 -0.602 . . . . 0.0 109.679 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -78.75 153.0 31.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.56 149.59 48.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.445 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.74 -19.74 7.08 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.5 mmt -96.78 145.13 29.06 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.208 -1.172 . . . . 0.0 110.543 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' MET . 87.7 Cg_exo -44.95 175.14 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.908 1.738 . . . . 0.0 112.365 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.6 31.49 5.0 Favored Glycine 0 N--CA 1.499 2.855 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.715 ' HG ' ' H ' ' A' ' 34' ' ' GLY . 22.8 p -148.37 143.42 26.83 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.358 -1.083 . . . . 0.0 109.178 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.84 -53.75 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.018 -1.051 . . . . 0.0 109.491 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.72 -35.16 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.777 -1.202 . . . . 0.0 108.867 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.715 ' H ' ' HG ' ' A' ' 31' ' ' SER . . . -56.11 -35.38 64.41 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.12 -46.86 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.057 -1.261 . . . . 0.0 108.762 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.501 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 74.6 m-70 -61.38 -23.54 65.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.315 -0.866 . . . . 0.0 108.97 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 26.3 t80 -58.97 -73.86 0.08 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -56.19 -41.73 76.02 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.258 -0.901 . . . . 0.0 110.271 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -52.04 -47.76 64.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 0.0 111.133 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.9 p30 -73.81 -43.22 59.47 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.937 -1.102 . . . . 0.0 109.47 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.2 t -64.84 -39.89 87.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.756 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.543 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 32.7 mt-30 -88.22 -36.35 16.82 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 0.0 110.102 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 89.28 53.48 2.48 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.543 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 39.3 m0 -68.05 149.27 49.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -1.12 . . . . 0.0 110.472 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.4 m -74.37 152.32 39.58 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -143.89 132.92 22.83 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.638 -1.289 . . . . 0.0 113.015 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -98.3 124.94 43.19 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 126.73 31.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.309 -0.869 . . . . 0.0 111.633 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -86.49 159.39 19.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.395 -0.815 . . . . 0.0 108.919 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.2 mt-10 -131.86 -59.33 0.95 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.219 -0.926 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -44.68 -14.76 0.04 OUTLIER Glycine 0 N--CA 1.495 2.621 0 O-C-N 121.465 -0.772 . . . . 0.0 111.447 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.2 t -88.95 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.763 -1.433 . . . . 0.0 110.29 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 55' ' ' GLY . 35.5 mttt -48.97 173.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.349 -0.844 . . . . 0.0 109.189 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.68 -38.11 0.13 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 71.52 -16.24 1.38 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.2 mtpp -74.32 -17.76 60.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -1.112 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.69 133.23 17.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 110.812 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.5 m -141.04 135.33 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.516 -0.74 . . . . 0.0 109.084 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.6 171.45 9.01 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.072 -1.018 . . . . 0.0 108.932 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -125.38 147.62 49.09 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -76.98 111.62 12.73 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.862 . . . . 0.0 110.864 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.25 -27.45 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -5.33 36.18 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.0 p -105.97 -9.91 16.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.404 -0.81 . . . . 0.0 109.278 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.5 mtt -73.26 156.98 88.81 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.077 . . . . 0.0 109.801 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' THR . 88.4 Cg_exo -42.39 139.61 2.84 Favored 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.965 1.777 . . . . 0.0 111.071 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' PRO . 11.0 m -44.31 -54.91 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.284 -0.885 . . . . 0.0 109.656 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -54.15 -49.82 68.37 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.289 -0.882 . . . . 0.0 109.198 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -56.06 -40.67 73.91 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.305 -0.872 . . . . 0.0 109.906 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -52.22 -43.85 64.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.966 -1.084 . . . . 0.0 108.978 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.06 -38.65 89.6 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.51 -45.98 84.91 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.398 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -71.79 -52.58 24.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' GLY . 57.1 mt -53.03 -35.92 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.39 -0.819 . . . . 0.0 109.089 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.03 -39.64 20.98 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.358 -0.839 . . . . 0.0 108.918 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -60.52 -39.96 89.7 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.8 mt -73.4 -38.22 65.69 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 68.43 44.89 71.39 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 80' ' ' SER . 3.2 pp -97.57 -52.21 3.85 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.478 -1.013 . . . . 0.0 110.234 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.433 ' N ' ' CD1' ' A' ' 79' ' ' LEU . 79.7 p -60.93 164.05 5.26 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.108 -0.995 . . . . 0.0 109.87 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.522 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.422 3.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.882 3.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.602 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C3'-C2'-C1' 107.172 3.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.602 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.85 1 O4'-C1'-N19 111.237 4.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.535 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.173 4.217 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.562 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.623 3.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.562 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.902 3.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.454 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.959 3.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.517 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.646 3.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.492 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.504 1 O4'-C1'-N19 111.525 4.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.573 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.13 1 O4'-C1'-N19 111.669 4.837 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.573 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.182 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.404 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.168 4.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.706 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.635 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.525 0 C3'-C2'-C1' 107.042 3.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.635 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.733 3.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.519 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.484 1 O4'-C1'-N19 111.732 4.915 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.519 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.293 1 O4'-C1'-N19 111.491 4.614 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 111.099 4.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.574 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.574 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.73 1 O4'-C1'-N19 111.432 4.54 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.65 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.472 3.339 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.65 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.491 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.007 4.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.491 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.477 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.806 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 1 O4'-C1'-N19 111.362 4.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.475 3.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 27.4 t -161.49 -178.82 6.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.331 -0.856 . . . . 0.0 109.428 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.518 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 62.8 mt -140.45 163.67 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.518 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 33.0 m95 -146.88 159.5 43.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.793 -0.567 . . . . 0.0 109.525 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.2 m -150.12 156.94 42.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.165 -0.96 . . . . 0.0 110.869 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 156.95 77.85 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.71 -44.89 44.3 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.938 1.759 . . . . 0.0 111.23 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.33 -26.74 65.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.451 -0.781 . . . . 0.0 110.587 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -78.32 -42.49 30.54 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.788 -1.195 . . . . 0.0 109.12 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -72.2 -52.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 109.952 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -52.6 -28.77 22.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.257 -0.902 . . . . 0.0 108.994 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.67 59.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.717 -0.615 . . . . 0.0 110.07 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 146.89 29.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.784 -1.198 . . . . 0.0 109.491 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.11 160.11 16.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.763 -1.21 . . . . 0.0 108.783 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.82 -20.67 6.2 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.2 mmt -91.25 149.3 39.5 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.118 -1.225 . . . . 0.0 109.888 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -33.61 -67.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.962 2.441 . . . . 0.0 113.021 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.57 14.29 4.88 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -146.9 144.46 29.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.325 -1.103 . . . . 0.0 109.306 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.8 t -54.08 -45.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.035 -1.041 . . . . 0.0 108.749 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.43 -24.86 63.89 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.188 -0.945 . . . . 0.0 108.79 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.67 92.86 Favored Glycine 0 N--CA 1.487 2.046 0 N-CA-C 108.926 -1.669 . . . . 0.0 108.926 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.96 -53.67 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.909 -1.348 . . . . 0.0 108.917 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 85.4 m-70 -52.16 -27.9 16.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.134 -0.978 . . . . 0.0 109.251 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.9 t80 -61.31 -74.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 108.968 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -54.9 -38.23 67.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.37 -49.12 62.11 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.254 -0.904 . . . . 0.0 110.405 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -75.14 -46.49 33.96 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.015 -1.053 . . . . 0.0 109.568 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.428 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.8 t -62.17 -40.79 88.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.626 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -85.37 -40.99 15.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.155 -0.965 . . . . 0.0 109.339 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 89.16 53.51 2.49 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.95 154.33 41.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.19 -1.182 . . . . 0.0 109.237 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 m -71.94 158.52 35.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -139.22 130.72 27.13 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.639 1.209 . . . . 0.0 112.317 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.23 119.4 39.3 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -74.42 129.59 38.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.802 0.81 . . . . 0.0 111.919 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.95 161.45 15.17 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 52' ' ' VAL . 11.5 mt-10 -131.45 -60.2 0.95 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.071 -1.018 . . . . 0.0 110.76 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.04 -12.01 0.04 OUTLIER Glycine 0 N--CA 1.494 2.563 0 O-C-N 121.407 -0.808 . . . . 0.0 111.295 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.8 t -89.26 136.86 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.775 -1.427 . . . . 0.0 110.42 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' A' ' 55' ' ' GLY . 33.8 mttp -51.33 -178.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 63.36 -34.62 0.08 OUTLIER Glycine 0 N--CA 1.488 2.154 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 73.93 -28.25 0.94 Allowed Glycine 0 N--CA 1.49 2.298 0 O-C-N 120.87 -1.371 . . . . 0.0 109.852 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.598 ' HZ1' ' H22' ' B' ' 110' ' ' ' DG' . 13.7 mttm -64.86 -15.93 62.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -1.218 . . . . 0.0 109.07 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.13 116.92 2.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.542 -0.724 . . . . 0.0 111.842 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.6 m -136.19 129.67 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -90.94 173.29 8.05 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.152 -0.968 . . . . 0.0 109.4 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -128.48 149.55 50.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.417 -0.802 . . . . 0.0 109.032 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' O ' ' OG ' ' A' ' 64' ' ' SER . 63.4 t0 -80.53 115.57 20.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.533 -0.73 . . . . 0.0 110.941 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.407 ' C ' ' H ' ' A' ' 64' ' ' SER . 73.9 t -63.04 -26.58 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 108.82 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.6 mmt -70.36 0.27 6.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 60.6 p -107.59 -12.0 15.35 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.623 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.57 150.86 97.54 Favored Pre-proline 0 C--N 1.308 -1.221 0 O-C-N 121.311 -0.868 . . . . 0.0 109.222 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 86.6 Cg_exo -42.19 141.74 1.9 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.514 1.476 . . . . 0.0 110.616 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 16.9 m -44.06 -57.28 3.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.249 -0.907 . . . . 0.0 109.8 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -53.3 -46.44 69.37 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.326 -0.859 . . . . 0.0 109.369 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -61.24 -34.64 75.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.269 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -55.12 -56.86 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.901 -1.125 . . . . 0.0 109.689 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -60.24 -36.06 76.89 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -65.12 -49.01 71.59 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.307 -0.957 . . . . 0.0 108.583 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -71.29 -51.71 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.648 -0.658 . . . . 0.0 109.264 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' GLY . 33.2 mt -53.94 -31.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.058 -1.026 . . . . 0.0 108.295 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.81 45.4 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.74 -37.34 86.2 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.22 -38.37 63.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 82.58 37.4 14.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 mt -96.83 -84.02 0.37 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.457 -1.025 . . . . 0.0 109.423 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.9 p 48.45 -151.46 0.13 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.375 -0.828 . . . . 0.0 109.471 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.352 179.883 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.466 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.415 3.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.68 1 O4'-C1'-N19 111.029 4.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.555 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.874 0 C3'-C2'-C1' 107.282 3.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.555 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-N19 110.926 3.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.503 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.539 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.314 4.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.539 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.498 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.598 ' H22' ' HZ1' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.578 4.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.507 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.961 0 O4'-C1'-N19 110.732 3.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.507 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.488 ' C6 ' ' C6 ' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 112.22 5.525 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.51 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.715 4.894 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.51 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.422 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.671 0 O4'-C1'-N19 110.998 3.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.815 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.702 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 C3'-C2'-C1' 106.817 2.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.702 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.11 4.137 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.444 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.824 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.444 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.059 1 O4'-C1'-N19 111.465 4.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.176 4.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.471 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.287 4.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.471 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.542 4.678 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.469 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.067 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 1 O4'-C1'-N19 111.526 4.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.698 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.163 4.203 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.698 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.474 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.108 0 O4'-C1'-N19 110.395 3.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.513 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.513 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.453 3.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.504 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 0 O4'-C1'-N19 110.593 3.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -159.61 174.35 14.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.267 -0.895 . . . . 0.0 109.697 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.521 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.8 mt -140.51 163.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.521 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 23.2 m95 -147.03 157.37 43.59 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.715 -0.616 . . . . 0.0 109.599 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.5 ' HG ' ' CG2' ' A' ' 62' ' ' VAL . 33.3 m -148.78 157.4 43.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.923 . . . . 0.0 110.861 -179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -80.63 149.87 68.79 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -40.57 -54.15 2.44 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.973 1.782 . . . . 0.0 112.441 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -56.83 -27.25 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.604 -0.685 . . . . 0.0 111.591 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.46 -37.98 63.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.591 -1.318 . . . . 0.0 108.657 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.6 mt -75.34 -55.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.513 -0.742 . . . . 0.0 110.41 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.424 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -48.3 -27.55 2.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.055 -1.028 . . . . 0.0 109.537 -179.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -11.96 59.5 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.882 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.64 145.06 28.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.84 -1.163 . . . . 0.0 109.837 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.86 156.47 20.65 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.847 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.25 -16.59 33.06 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.74 149.72 38.38 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.172 -1.193 . . . . 0.0 109.931 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -35.95 -72.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.852 2.368 . . . . 0.0 113.395 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 10.89 2.58 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.49 ' OG ' ' C7 ' ' B' ' 105' ' ' ' DT' . 2.2 t -144.01 147.37 33.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.225 -1.162 . . . . 0.0 108.941 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -56.67 -43.49 79.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.036 -1.04 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.51 77.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.042 -1.036 . . . . 0.0 108.65 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.29 58.82 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.911 -1.675 . . . . 0.0 108.911 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.24 -56.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.11 -1.23 . . . . 0.0 108.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 82.1 m-70 -52.84 -27.62 19.16 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.701 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.75 -75.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.215 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 13.4 mtp180 -53.18 -32.61 48.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.334 -0.854 . . . . 0.0 109.953 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -54.2 -54.23 42.73 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.235 -0.916 . . . . 0.0 110.78 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.84 -43.16 59.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.948 -1.095 . . . . 0.0 109.302 -179.44 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.3 t -57.46 -47.99 83.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.489 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -83.5 -34.14 25.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.368 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 87.62 55.05 2.38 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.04 148.47 51.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.098 -1.236 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.48 149.27 45.99 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' CB ' ' HZ1' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -132.35 132.95 43.4 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.383 1.087 . . . . 0.0 112.117 -178.17 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -107.44 139.31 42.13 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -73.22 132.57 43.33 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 121.301 -0.874 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 57' ' ' ALA . 50.7 tttt -117.52 147.53 42.69 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.5 mt-10 -131.65 -40.52 1.09 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.024 -1.047 . . . . 0.0 111.096 -178.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -28.93 -34.89 0.01 OUTLIER Glycine 0 N--CA 1.502 3.037 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.074 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.545 ' N ' ' O ' ' A' ' 50' ' ' GLU . 85.7 t -91.29 133.32 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.977 -1.308 . . . . 0.0 110.096 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.42 129.34 41.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.246 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.92 -36.03 1.16 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.04 -43.94 2.74 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.556 ' NZ ' ' N3 ' ' B' ' 110' ' ' ' DG' . 19.6 mttm -66.17 -5.34 9.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -1.081 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -58.44 113.19 1.86 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 111.394 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.3 m -137.8 136.53 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -94.1 172.12 8.42 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.089 -1.007 . . . . 0.0 109.807 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -127.84 151.27 49.26 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.446 -0.784 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' SD ' ' A' ' 65' ' ' MET . 39.1 t0 -82.01 116.39 21.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 111.472 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG2' ' HG ' ' A' ' 17' ' ' CYS . 72.6 t -66.4 -28.6 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 108.805 178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mmm -70.85 1.7 5.18 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 62' ' ' VAL . 60.5 p -108.89 -7.29 15.48 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.635 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -71.37 148.39 93.44 Favored Pre-proline 0 C--N 1.311 -1.081 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.8 Cg_exo -40.87 133.01 2.7 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 121.325 1.35 . . . . 0.0 110.417 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 51.8 m -37.6 -57.0 0.99 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.527 -0.733 . . . . 0.0 110.462 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -53.15 -49.65 66.17 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.067 -1.021 . . . . 0.0 108.529 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 73.4 mt-10 -63.86 -52.1 61.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 111.309 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -53.31 -38.34 63.1 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.374 -1.454 . . . . 0.0 108.793 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.81 -39.28 90.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.88 -40.89 97.6 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.12 -56.47 9.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.7 mt -50.43 -29.84 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.26 -43.28 21.64 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.866 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.67 -37.01 84.75 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.2 mt -71.55 -40.19 70.19 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.3 41.65 7.84 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 81' ' ' THR . 9.7 mt -90.29 -73.32 0.53 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.8 t -50.7 -13.64 0.15 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 122.014 0.911 . . . . 0.0 109.383 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 79' ' ' LEU . 47.9 m . . . . . 0 C--N 1.288 -2.071 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.533 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.504 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.616 0 O4'-C1'-N19 110.32 3.15 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.433 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.663 0 O4'-C1'-N19 110.931 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.569 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 C3'-C2'-C1' 107.162 3.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.569 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.05 4.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.531 ' OP2' ' H71' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.591 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.063 1 O4'-C1'-N19 111.287 4.359 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.591 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.525 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.959 3.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.556 ' N3 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.569 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.41 1 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.569 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.504 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.957 5.196 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.512 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.099 1 O4'-C1'-N19 111.819 5.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.512 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.453 0 O4'-C1'-N19 110.701 3.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.513 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.078 4.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.513 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.901 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.613 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.08 0 C3'-C2'-C1' 106.964 3.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.613 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.52 ' C4 ' ' C8 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.818 5.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.52 ' C8 ' ' C4 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.431 1 O4'-C1'-N19 111.759 4.949 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.475 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.058 1 O4'-C1'-N19 111.804 5.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.577 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.025 0 O4'-C1'-N19 110.967 3.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.577 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.103 4.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.491 H2'' " O5'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.479 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.491 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.536 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.654 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.397 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.654 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.101 1 O4'-C1'-N19 111.104 4.129 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.555 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.36 0 O4'-C1'-N19 110.534 3.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.555 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.701 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.461 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.337 0.589 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 14.5 t -160.99 179.82 8.14 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.295 -0.878 . . . . 0.0 109.576 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 67.5 mt -140.94 163.75 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 44.1 m95 -147.32 155.56 42.13 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 27.2 m -151.48 154.4 36.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.171 -0.955 . . . . 0.0 111.277 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 p -83.63 149.67 57.87 Favored Pre-proline 0 C--N 1.302 -1.495 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -39.25 -45.11 2.93 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.179 1.919 . . . . 0.0 112.812 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -54.17 -37.84 64.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.41 -0.807 . . . . 0.0 110.889 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -76.02 -35.04 59.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.76 -1.213 . . . . 0.0 109.032 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -75.31 -56.46 8.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.192 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -25.51 7.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 108.932 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.91 -16.83 54.52 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.06 150.34 30.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.878 -1.139 . . . . 0.0 109.903 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.43 ' O ' ' OE1' ' A' ' 72' ' ' GLN . 10.1 m-20 -65.64 150.78 47.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.977 -1.077 . . . . 0.0 108.644 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.44 -27.41 4.68 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 mmt -92.23 123.24 63.08 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.569 -0.96 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -41.79 144.6 0.86 Allowed 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.782 1.655 . . . . 0.0 112.329 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.03 38.98 3.15 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -138.02 126.29 23.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.524 -0.986 . . . . 0.0 109.109 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -52.25 -44.66 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.149 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -38.44 65.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.21 -0.931 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.7 54.77 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.86 -50.31 75.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.157 -1.202 . . . . 0.0 108.089 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.624 ' HD1' ' HH ' ' A' ' 60' ' ' TYR . 36.8 m-70 -54.97 -26.78 38.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.397 -0.814 . . . . 0.0 109.082 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.435 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.6 t80 -58.69 -76.97 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.513 HH21 HE22 ' A' ' 42' ' ' GLN . 7.7 ptm180 -56.62 -29.23 61.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.209 -0.932 . . . . 0.0 110.088 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.89 -54.75 34.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.899 -1.126 . . . . 0.0 110.657 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 10.0 p30 -74.32 -40.92 61.91 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.236 -0.915 . . . . 0.0 110.149 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.65 -37.94 81.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.083 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.513 HE22 HH21 ' A' ' 38' ' ' ARG . 87.3 mt-30 -84.14 -36.98 22.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.031 -1.043 . . . . 0.0 109.942 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 49.73 2.0 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.486 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 40.8 m0 -65.58 155.35 36.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.308 -1.113 . . . . 0.0 109.559 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.6 m -75.47 163.41 27.43 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -141.97 142.58 32.98 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 122.671 1.224 . . . . 0.0 111.39 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -127.82 127.19 43.05 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -70.94 131.67 44.06 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.877 0.846 . . . . 0.0 111.47 -177.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -111.77 142.05 44.62 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.6 mt-10 -130.67 -44.02 1.1 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.256 -0.903 . . . . 0.0 110.221 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -37.23 -25.76 0.01 OUTLIER Glycine 0 N--CA 1.499 2.835 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.8 t -88.61 142.69 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.998 -1.295 . . . . 0.0 109.391 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.529 ' HZ3' " C1'" ' B' ' 113' ' ' ' DA' . 0.2 OUTLIER -51.01 171.82 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.953 -179.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 77.83 -33.77 1.66 Allowed Glycine 0 N--CA 1.486 2.005 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 69.05 -30.53 0.3 Allowed Glycine 0 N--CA 1.493 2.44 0 O-C-N 120.905 -1.35 . . . . 0.0 110.313 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.56 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.4 mttp -64.66 -2.13 2.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.064 -1.257 . . . . 0.0 109.3 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.67 128.48 36.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 111.492 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.11 130.83 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.96 164.06 12.69 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.12 -0.988 . . . . 0.0 110.005 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.624 ' HH ' ' HD1' ' A' ' 36' ' ' HIS . 96.5 m-85 -117.58 150.24 39.32 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 59.3 t0 -77.69 121.9 24.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.081 -1.012 . . . . 0.0 110.798 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG2' ' HG ' ' A' ' 17' ' ' CYS . 43.5 t -64.95 -27.28 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.5 mmt -74.64 -6.45 48.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.797 -0.564 . . . . 0.0 110.224 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 p -102.58 -5.66 23.67 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.486 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.0 mmt -72.63 150.44 91.12 Favored Pre-proline 0 C--N 1.304 -1.386 0 O-C-N 121.507 -0.746 . . . . 0.0 109.445 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' THR . 82.3 Cg_exo -41.27 139.1 1.78 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 121.607 1.538 . . . . 0.0 111.051 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 66' ' ' PRO . 15.0 m -40.87 -58.65 1.63 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.323 -0.86 . . . . 0.0 110.209 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -53.33 -47.51 69.25 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.843 . . . . 0.0 109.284 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.33 -36.94 71.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.215 -178.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' ILE . 30.3 mtt180 -54.46 -47.72 72.61 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.807 -1.183 . . . . 0.0 109.902 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.02 -58.24 9.25 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.618 -0.676 . . . . 0.0 110.105 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' A' ' 69' ' ' GLU . 10.7 pt20 -62.64 -35.86 80.95 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 118.164 -1.414 . . . . 0.0 109.429 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.33 -48.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' GLY . 50.9 mt -62.67 -37.66 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.47 72.76 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -63.19 -42.36 99.34 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.7 -34.34 69.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 79.9 37.86 21.26 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt -100.61 -83.72 0.44 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.278 -1.13 . . . . 0.0 108.913 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 t 54.31 -178.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.48 -0.762 . . . . 0.0 109.871 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.591 -179.857 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.459 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.567 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.43 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.52 1 O4'-C1'-N19 111.225 4.281 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.51 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.928 0 C3'-C2'-C1' 107.23 3.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.51 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 111.117 4.146 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.44 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.743 3.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.554 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.554 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.067 0 O4'-C1'-N19 110.38 3.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.46 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.573 0 O4'-C1'-N19 110.982 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.619 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.996 1 O4'-C1'-N19 111.425 4.532 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.619 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.131 1 O4'-C1'-N19 111.329 4.412 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.442 H2'' " O5'" ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.81 3.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.563 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.878 1 O4'-C1'-N19 111.791 4.989 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.563 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.714 4.892 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.497 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C1'-N19 110.925 3.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.557 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.798 3.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.557 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.712 0 O4'-C1'-N19 110.51 3.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.675 ' H6 ' " O5'" ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.568 0 C3'-C2'-C1' 107.237 3.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.64 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.932 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.481 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.665 1 O4'-C1'-N19 111.706 4.882 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.481 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 111.472 4.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.414 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.533 4.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.657 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.893 0 O4'-C1'-N19 110.782 3.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.657 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.445 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.29 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.652 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C1'-N19 110.929 3.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.652 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.293 4.366 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.434 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.738 3.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.488 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.639 3.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.488 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 111.295 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.447 3.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.485 ' HG ' ' H ' ' A' ' 15' ' ' ILE . 15.9 t -160.87 175.56 12.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 109.837 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.531 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.4 mt -142.2 162.41 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.531 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 23.0 m95 -144.48 155.41 43.7 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.775 -0.578 . . . . 0.0 109.547 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.506 ' HG ' ' CG2' ' A' ' 62' ' ' VAL . 33.9 m -149.81 156.15 41.31 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.223 -0.923 . . . . 0.0 111.051 -179.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -82.0 149.82 63.79 Favored Pre-proline 0 N--CA 1.488 1.465 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.91 -43.5 6.94 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.945 1.763 . . . . 0.0 112.587 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -55.42 -39.5 70.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.526 -0.734 . . . . 0.0 111.052 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.27 -32.7 66.87 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.763 -1.21 . . . . 0.0 108.467 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.442 ' C ' ' N ' ' A' ' 24' ' ' ALA . 61.4 mt -76.92 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.685 -0.634 . . . . 0.0 110.278 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.12 -18.47 0.57 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 22' ' ' ILE . . . -80.55 -18.46 48.34 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -77.04 163.93 26.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 0.0 109.9 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' MET . 8.8 t70 -65.04 -76.21 0.08 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.382 -0.823 . . . . 0.0 111.671 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.47 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -48.15 -9.41 0.07 OUTLIER Glycine 0 N--CA 1.496 2.665 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -178.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 26' ' ' ASP . 13.1 mmt -100.59 134.35 20.67 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.218 -1.166 . . . . 0.0 110.744 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 87.0 Cg_exo -45.06 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.084 1.856 . . . . 0.0 112.73 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.94 38.69 2.61 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -145.54 134.32 22.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.389 -1.065 . . . . 0.0 108.791 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.28 -45.32 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.042 -1.036 . . . . 0.0 109.084 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.06 64.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.186 -0.946 . . . . 0.0 108.678 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.47 -40.29 92.02 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.68 -53.53 41.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.218 -1.166 . . . . 0.0 108.398 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.519 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.6 m-70 -50.38 -29.77 10.8 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.351 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -60.52 -74.99 0.07 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 34.6 ttm180 -53.74 -30.74 45.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.338 -0.851 . . . . 0.0 109.547 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -56.0 -53.33 58.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 110.519 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -73.61 -44.93 55.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 110.054 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 65.6 t -52.43 -45.91 46.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.249 -0.981 . . . . 0.0 109.172 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -86.83 -44.24 11.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 109.177 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 93.27 58.96 1.25 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 27.3 m0 -68.05 159.23 31.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.327 -1.102 . . . . 0.0 109.837 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -74.4 154.83 38.63 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -142.5 131.18 22.66 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 122.729 1.252 . . . . 0.0 112.2 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 21.1 ttm-85 -97.51 140.52 31.81 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -76.8 125.2 28.87 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.542 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -103.25 141.32 36.1 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 52' ' ' VAL . 36.2 mt-10 -126.4 -37.95 2.16 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.428 -0.795 . . . . 0.0 110.09 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.17 -35.24 0.01 OUTLIER Glycine 0 N--CA 1.502 3.097 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 50' ' ' GLU . 39.7 t -89.85 127.66 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.372 -1.075 . . . . 0.0 108.631 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -57.65 115.67 2.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.107 -0.995 . . . . 0.0 108.859 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.1 -33.47 0.3 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.87 -38.94 1.1 Allowed Glycine 0 N--CA 1.493 2.454 0 O-C-N 121.206 -1.173 . . . . 0.0 110.9 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.647 ' HZ2' ' N2 ' ' B' ' 110' ' ' ' DG' . 0.0 OUTLIER -77.21 -1.74 31.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.94 -1.329 . . . . 0.0 109.898 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.22 131.67 47.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.993 . . . . 0.0 110.051 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.9 m -144.73 134.71 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.364 -0.835 . . . . 0.0 109.402 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -96.18 170.1 9.49 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.198 -0.939 . . . . 0.0 109.467 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -120.77 150.4 41.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.422 -0.799 . . . . 0.0 109.438 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.456 ' O ' ' OG ' ' A' ' 64' ' ' SER . 53.2 t0 -80.06 110.97 15.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 110.211 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.506 ' CG2' ' HG ' ' A' ' 17' ' ' CYS . 98.3 t -61.15 -29.28 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.239 -0.913 . . . . 0.0 108.903 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.9 mmt -71.16 -0.48 9.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.467 -0.771 . . . . 0.0 109.214 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 90.3 p -107.98 -10.39 15.51 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 mtt -73.48 144.36 83.68 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 120.905 -1.122 . . . . 0.0 108.073 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.4 Cg_exo -42.26 139.79 2.63 Favored 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 121.005 1.137 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 9.1 m -41.15 -61.18 1.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.327 -0.858 . . . . 0.0 110.491 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -51.89 -44.99 63.99 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.929 -1.107 . . . . 0.0 109.059 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -63.7 -54.49 34.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.838 . . . . 0.0 110.446 -179.405 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -57.6 -28.56 63.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.096 -1.003 . . . . 0.0 109.812 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -62.83 -38.67 91.68 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.807 -1.183 . . . . 0.0 108.507 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 76' ' ' HIS . 32.0 mm-40 -64.39 -41.19 96.8 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.749 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' LEU . 3.2 t -71.34 -56.39 10.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.5 mt -54.32 -37.43 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.59 -42.79 33.83 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.076 -1.015 . . . . 0.0 108.571 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 72' ' ' GLN . 79.2 t60 -63.5 -33.88 76.55 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . 57.3 mt -71.69 -46.98 57.11 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.01 21.07 5.05 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.11 -37.87 13.12 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.028 -1.277 . . . . 0.0 108.152 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 t -57.59 -166.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.66 -0.65 . . . . 0.0 109.897 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.519 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.478 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.443 3.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.503 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.507 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.503 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.463 3.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.475 H2'' " O5'" ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.475 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.471 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.594 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.594 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.709 3.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.647 ' N2 ' ' HZ2' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.533 2.771 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.522 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 111.277 4.346 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.904 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.625 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.176 1 O4'-C1'-N19 111.714 4.893 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.625 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 112.23 5.537 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.566 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.583 0 O4'-C1'-N19 110.502 3.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.546 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.292 4.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.438 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.636 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.889 0 C3'-C2'-C1' 106.967 3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.636 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.519 ' C6 ' ' C6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.902 5.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.519 ' C6 ' ' C6 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.285 1 O4'-C1'-N19 111.691 4.863 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.183 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.694 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.166 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.694 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.85 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.415 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.444 ' O2 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.536 3.154 1 O4'-C1'-N19 111.712 4.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.603 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.738 0 C3'-C2'-C1' 107.054 3.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.603 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.232 4.29 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.512 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 111.107 4.134 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.482 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.922 0 O4'-C1'-N19 110.42 3.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.445 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.938 3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.445 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.21 4.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -160.71 173.57 15.23 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.276 -0.89 . . . . 0.0 109.401 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.524 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 62.1 mt -141.84 164.87 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 32.1 m95 -148.18 153.28 38.58 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 109.776 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 6.0 m -151.81 153.9 35.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.3 -0.875 . . . . 0.0 110.782 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.418 ' OG ' ' OE2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -79.51 162.3 63.86 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.588 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.75 -35.16 97.66 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.104 1.869 . . . . 0.0 111.433 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -40.7 87.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.521 -0.737 . . . . 0.0 110.18 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -73.11 -35.13 66.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.995 -1.065 . . . . 0.0 108.961 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.526 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 86.6 mt -74.09 -58.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.71 -0.619 . . . . 0.0 111.009 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.67 -24.16 3.14 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.038 -1.039 . . . . 0.0 108.682 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -18.02 47.31 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.838 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.28 151.27 31.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.934 -1.104 . . . . 0.0 109.951 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.24 149.54 49.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.03 -25.29 6.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.526 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 12.2 mmt -93.66 136.99 23.44 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.589 -0.948 . . . . 0.0 109.467 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 79.9 Cg_exo -42.68 171.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.644 1.562 . . . . 0.0 112.083 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.33 30.98 6.95 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -143.79 139.57 29.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.358 -1.083 . . . . 0.0 109.087 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.9 t -54.39 -41.46 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.54 69.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.039 . . . . 0.0 109.551 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.01 -37.8 23.33 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.8 -57.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.212 -1.17 . . . . 0.0 108.4 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.51 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 43.8 m-70 -51.08 -25.75 5.45 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.344 -0.848 . . . . 0.0 109.637 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 31.6 t80 -61.13 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.291 -0.88 . . . . 0.0 109.312 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.617 HH21 HE22 ' A' ' 42' ' ' GLN . 7.2 ptm180 -56.06 -29.05 59.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.878 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.6 -51.34 67.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.926 -1.109 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.8 p30 -73.62 -41.99 62.06 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.079 -1.013 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.8 t -64.51 -38.96 83.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.705 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.617 HE22 HH21 ' A' ' 38' ' ' ARG . 92.3 mt-30 -85.12 -30.21 24.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.213 -0.93 . . . . 0.0 109.895 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.66 53.9 3.08 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -68.06 149.82 49.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -1.187 . . . . 0.0 109.85 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -72.55 153.77 41.14 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -142.34 131.25 22.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.756 -1.215 . . . . 0.0 111.832 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp180 -105.8 135.4 47.29 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.49 131.82 43.04 Favored 'General case' 0 C--N 1.292 -1.935 0 O-C-N 121.336 -0.853 . . . . 0.0 111.061 -178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' ALA . 47.0 tttt -119.78 126.56 51.32 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.8 mt-10 -117.58 -38.31 3.32 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.336 -0.852 . . . . 0.0 110.784 -177.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.81 -30.89 0.01 OUTLIER Glycine 0 N--CA 1.501 2.985 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 50' ' ' GLU . 46.0 t -90.15 144.65 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.082 -1.246 . . . . 0.0 110.132 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.447 ' NZ ' " C1'" ' B' ' 113' ' ' ' DA' . 6.2 ttmm -55.63 144.89 25.1 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.48 -45.85 1.22 Allowed Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 -41.52 3.04 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.061 -1.258 . . . . 0.0 110.526 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.578 ' NZ ' ' N3 ' ' B' ' 110' ' ' ' DG' . 23.3 mttm -66.71 -14.26 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.95 -1.324 . . . . 0.0 109.714 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -43.72 125.81 4.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.285 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.2 p -142.34 129.32 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -94.04 165.97 12.38 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.852 -1.155 . . . . 0.0 109.873 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.6 148.87 43.97 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -80.31 114.04 18.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 111.283 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.05 -27.37 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mtt -72.21 -2.57 19.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.6 p -106.91 -13.75 15.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.262 -0.899 . . . . 0.0 108.971 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mtt -72.07 158.44 87.63 Favored Pre-proline 0 N--CA 1.487 1.382 0 O-C-N 121.052 -1.03 . . . . 0.0 109.455 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.15 141.2 1.14 Allowed 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.125 1.883 . . . . 0.0 111.592 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.9 m -46.23 -56.55 5.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.074 -1.016 . . . . 0.0 109.692 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' HE21 ' A' ' 72' ' ' GLN . 16.4 mmmt -50.55 -47.45 57.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -60.03 -37.15 78.92 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 110.589 -179.083 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -54.9 -53.04 60.61 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.032 -1.042 . . . . 0.0 111.409 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.48 -55.08 35.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 110.639 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.464 ' NE2' ' OE1' ' A' ' 69' ' ' GLU . 13.7 pt20 -61.19 -38.37 86.27 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.713 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.1 t -69.45 -47.46 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 78' ' ' GLY . 39.2 mt -60.88 -42.63 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.15 85.17 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -64.36 -38.79 92.27 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -71.97 -38.53 69.72 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 86.83 34.27 11.47 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt -96.9 -80.68 0.43 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.299 -1.118 . . . . 0.0 109.254 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t 64.69 -176.39 0.17 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.418 -0.802 . . . . 0.0 109.731 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 49.0 p . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.461 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 0 O4'-C1'-N19 110.524 3.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.436 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.657 3.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.555 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O4'-C1'-N19 110.513 3.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.555 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.226 4.283 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.418 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.487 0 O4'-C1'-N19 110.8 3.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.566 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.566 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.006 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.479 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.818 1 O4'-C1'-N19 111.026 4.032 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.578 ' N3 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.533 2.758 1 O4'-C1'-N19 111.152 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.533 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.263 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.533 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.802 3.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.565 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.034 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.565 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.081 1 O4'-C1'-N19 111.718 4.897 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.456 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.222 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.45 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.655 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.804 0 C3'-C2'-C1' 107.243 3.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.655 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.986 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.525 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.892 5.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.525 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.083 1 O4'-C1'-N19 111.626 4.783 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.551 4.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.707 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.131 4.163 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.707 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.555 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.494 ' C5 ' ' C4 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.569 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.485 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.411 1 O4'-C1'-N19 111.7 4.875 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.62 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.348 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.62 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.453 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.497 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.371 3.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.497 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.705 1 O4'-C1'-N19 111.075 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.425 H2'' " O5'" ' C' ' 135' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.927 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . 0.425 " O5'" H2'' ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.447 0 O4'-C1'-N19 110.742 3.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tttt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.446 0.641 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -161.7 169.79 20.88 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.44 -0.788 . . . . 0.0 109.091 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.504 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 63.0 mt -143.62 163.83 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.539 ' CD1' ' NH2' ' A' ' 47' ' ' ARG . 20.6 m95 -148.69 154.71 40.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.664 -0.648 . . . . 0.0 109.481 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 34.1 m -150.67 158.36 44.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.568 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.4 m -80.64 146.62 61.1 Favored Pre-proline 0 N--CA 1.488 1.452 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.55 -46.35 4.55 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 121.919 1.746 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.27 -31.82 65.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.448 -0.783 . . . . 0.0 111.161 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -74.02 -41.03 62.45 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.796 -1.19 . . . . 0.0 109.059 -179.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -74.21 -52.6 19.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 110.215 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -51.58 -23.72 4.54 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 0.0 108.448 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.06 -15.17 54.44 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.885 -0.509 . . . . 0.0 109.862 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.08 29.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.999 -1.063 . . . . 0.0 109.5 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.99 154.86 29.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.079 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.4 -17.46 24.17 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -91.82 148.79 37.85 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 109.628 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -35.57 -61.82 0.26 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.725 2.284 . . . . 0.0 113.145 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.43 17.68 8.02 Favored Glycine 0 N--CA 1.498 2.821 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -145.45 142.21 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.534 -0.98 . . . . 0.0 108.906 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.2 -55.58 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.945 -1.097 . . . . 0.0 108.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.49 74.2 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.18 -39.73 65.0 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.37 -58.35 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.13 -1.218 . . . . 0.0 108.189 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.498 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 61.2 m-70 -46.68 -38.2 9.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.299 -0.876 . . . . 0.0 109.638 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.543 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 23.8 t80 -56.49 -75.72 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.682 ' CZ ' HE21 ' A' ' 42' ' ' GLN . 0.4 OUTLIER -55.49 -32.29 62.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 110.147 179.321 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.11 78.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.824 -1.173 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.5 p30 -73.16 -43.12 61.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.03 -1.044 . . . . 0.0 109.935 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.85 -40.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.305 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.682 HE21 ' CZ ' ' A' ' 38' ' ' ARG . 29.6 mm-40 -86.16 -45.88 10.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.487 -0.758 . . . . 0.0 109.56 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.6 56.0 0.78 Allowed Glycine 0 N--CA 1.496 2.684 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -67.11 140.17 57.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.378 -1.071 . . . . 0.0 109.907 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -72.48 147.69 45.81 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -138.98 132.67 30.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.788 -1.195 . . . . 0.0 111.984 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.539 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 12.4 ttm180 -101.25 139.3 37.12 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HZ2' ' CD ' ' A' ' 50' ' ' GLU . 37.7 tttm -71.98 130.64 41.46 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 121.282 -0.886 . . . . 0.0 110.227 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 57' ' ' ALA . 56.5 tttt -114.14 143.96 43.95 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.9 mm-40 -130.63 -39.11 1.28 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.193 -0.942 . . . . 0.0 110.39 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.11 -35.37 0.01 OUTLIER Glycine 0 N--CA 1.502 3.065 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.2 t -93.18 145.27 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.208 -1.171 . . . . 0.0 109.701 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 52' ' ' VAL . 19.5 mttp -51.24 -177.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.31 -0.869 . . . . 0.0 109.295 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 83.3 -38.89 2.76 Favored Glycine 0 N--CA 1.489 2.219 0 C-N-CA 120.292 -0.956 . . . . 0.0 110.717 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.41 -35.61 0.56 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.58 ' NZ ' ' N2 ' ' B' ' 110' ' ' ' DG' . 19.0 mtmm -67.15 -1.89 4.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -1.15 . . . . 0.0 109.148 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -60.66 120.65 10.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.278 -0.889 . . . . 0.0 111.504 -178.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.5 m -136.04 131.85 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -95.42 166.44 11.87 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.125 -0.984 . . . . 0.0 110.018 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -117.16 149.68 39.97 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' O ' ' OG ' ' A' ' 64' ' ' SER . 48.5 t0 -79.42 114.85 18.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 111.171 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.41 -27.5 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.177 -0.952 . . . . 0.0 108.534 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.87 -4.07 18.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 83.9 p -102.63 -6.78 22.38 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.612 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.8 146.45 95.55 Favored Pre-proline 0 N--CA 1.481 1.097 0 O-C-N 121.133 -0.979 . . . . 0.0 108.618 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 69' ' ' GLU . 78.4 Cg_exo -40.87 128.82 2.78 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.249 1.299 . . . . 0.0 110.123 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 66' ' ' PRO . 27.6 m -33.02 -58.17 0.37 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.689 -0.632 . . . . 0.0 111.023 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -54.56 -45.98 73.59 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.858 -1.151 . . . . 0.0 108.698 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' PRO . 64.0 mm-40 -65.54 -49.09 70.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.535 -0.728 . . . . 0.0 112.005 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -53.89 -42.37 68.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.404 -1.435 . . . . 0.0 109.412 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.9 -38.0 89.19 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -64.16 -41.01 97.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.0 -56.88 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.485 ' CG2' ' H ' ' A' ' 80' ' ' SER . 82.4 mt -51.11 -41.13 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.92 84.55 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.74 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -63.8 -37.81 88.75 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.3 mt -70.74 -38.76 73.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 90.06 36.2 7.28 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 mp -87.79 -81.63 0.24 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.518 -0.989 . . . . 0.0 108.412 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.485 ' H ' ' CG2' ' A' ' 74' ' ' ILE . 5.0 t 60.27 -170.05 0.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.603 -0.686 . . . . 0.0 109.575 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 80' ' ' SER . 56.3 p . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 118.026 -0.987 . . . . 0.0 109.644 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.53 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.671 0 C3'-C2'-C1' 107.012 3.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.503 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.553 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.553 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.551 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.559 1 O4'-C1'-N19 111.652 4.814 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.551 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.115 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.417 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.64 1 O4'-C1'-N19 111.193 4.241 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.58 ' N2 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.888 1 O4'-C1'-N19 111.469 4.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.592 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.319 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.592 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.541 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.649 1 O4'-C1'-N19 111.762 4.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.541 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.735 4.919 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.53 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.038 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.425 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.409 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.783 0 O4'-C1'-N19 110.735 3.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.682 ' H6 ' " O5'" ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 C3'-C2'-C1' 107.216 3.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.626 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.093 0 O4'-C1'-N19 110.888 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.495 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.66 1 O4'-C1'-N19 111.752 4.94 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.461 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.229 1 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.448 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.545 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.107 4.133 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.545 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 111.529 4.662 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.471 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.487 ' O2 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.542 3.932 1 O4'-C1'-N19 111.409 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.647 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.4 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.647 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.552 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.376 3.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.552 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.508 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.386 4.483 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.594 3.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.459 ' HG ' ' N ' ' A' ' 15' ' ' ILE . 24.2 t -161.86 175.23 12.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.332 -0.855 . . . . 0.0 109.743 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.8 mt -141.41 161.85 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 17.2 m95 -144.98 153.6 41.68 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 21.2 m -150.54 155.22 39.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 111.327 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.86 164.04 55.13 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 177.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.53 -33.83 98.35 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.015 1.81 . . . . 0.0 111.346 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.84 -36.22 78.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.372 -0.83 . . . . 0.0 110.594 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -77.91 -35.78 50.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.003 -1.06 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.46 -52.53 19.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -25.99 22.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -14.93 57.63 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.136 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.74 154.5 29.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.8 -1.187 . . . . 0.0 110.17 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 28' ' ' MET . 13.2 m-20 -66.95 153.64 43.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.965 -1.084 . . . . 0.0 108.678 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.03 -23.9 3.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.454 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.7 mmt -91.21 152.69 44.22 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.392 -1.063 . . . . 0.0 109.414 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.57 169.27 4.38 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.111 1.874 . . . . 0.0 111.84 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.92 36.94 3.77 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.497 ' HG ' ' P ' ' B' ' 104' ' ' ' DT' . 0.7 OUTLIER -145.26 133.64 21.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.92 . . . . 0.0 109.029 -179.238 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.0 t -53.19 -43.42 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.154 -0.966 . . . . 0.0 109.116 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.93 72.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.247 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.29 -42.6 41.97 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.33 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.163 -1.198 . . . . 0.0 108.526 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -59.08 -25.35 63.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.282 -0.886 . . . . 0.0 109.454 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.5 t80 -59.98 -77.39 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -52.47 -41.02 62.97 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 110.138 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.25 -31.17 68.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 4.2 p30 -76.83 -44.95 30.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.775 -1.203 . . . . 0.0 109.695 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.54 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.3 p -78.37 -28.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 119.414 -0.914 . . . . 0.0 110.013 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.62 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 33.6 mt-30 -83.29 -21.85 33.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.899 -1.126 . . . . 0.0 109.066 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.03 54.58 11.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.62 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 40.6 m0 -65.3 158.39 26.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -1.176 . . . . 0.0 109.014 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.12 158.69 36.02 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -139.94 138.89 35.95 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.539 1.161 . . . . 0.0 111.658 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 5.2 ttp180 -128.63 115.97 18.87 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.16 119.93 19.04 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.59 174.06 7.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.041 -1.037 . . . . 0.0 108.442 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.625 ' C ' ' H ' ' A' ' 52' ' ' VAL . 23.6 mt-10 -131.64 -32.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.204 -0.935 . . . . 0.0 110.25 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.72 25.21 0.03 OUTLIER Glycine 0 N--CA 1.497 2.735 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.625 ' H ' ' C ' ' A' ' 50' ' ' GLU . 18.5 t -142.83 130.3 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.948 -1.324 . . . . 0.0 109.088 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.472 ' C ' ' H ' ' A' ' 55' ' ' GLY . 67.7 mttt -47.38 175.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.794 0.807 . . . . 0.0 110.044 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.586 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 71.03 -34.59 0.51 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 69.05 -25.22 0.31 Allowed Glycine 0 N--CA 1.49 2.257 0 O-C-N 120.881 -1.364 . . . . 0.0 109.722 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.586 ' H ' ' C ' ' A' ' 54' ' ' GLY . 35.2 mttm -60.86 -20.09 61.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.289 . . . . 0.0 108.494 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.55 125.29 8.15 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.512 0.672 . . . . 0.0 110.134 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -140.31 127.18 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.416 -0.803 . . . . 0.0 109.242 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 1.4 mp0 -92.56 171.52 8.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.175 -0.953 . . . . 0.0 108.722 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 27.8 m-85 -131.5 148.67 52.65 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.52 ' O ' ' SD ' ' A' ' 65' ' ' MET . 53.2 t0 -76.29 116.82 17.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.46 -25.14 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mmt -70.98 -0.23 8.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 0.0 109.128 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 p -110.65 -8.36 14.6 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.99 151.59 96.11 Favored Pre-proline 0 N--CA 1.483 1.188 0 O-C-N 121.183 -0.948 . . . . 0.0 109.935 -179.202 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -41.85 142.9 1.27 Allowed 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 121.523 1.482 . . . . 0.0 110.683 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -46.94 -51.11 17.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.939 -1.101 . . . . 0.0 108.664 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -54.75 -53.44 55.0 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.006 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.0 -35.37 69.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.22 -0.925 . . . . 0.0 110.692 -178.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -55.04 -54.26 45.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.816 -1.177 . . . . 0.0 110.798 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.44 -32.93 70.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.956 -1.09 . . . . 0.0 109.621 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -65.54 -48.45 72.39 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.558 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' LEU . 46.7 t -68.1 -54.12 24.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.62 -43.56 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.66 74.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.07 -1.018 . . . . 0.0 108.858 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.8 -37.15 86.29 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' VAL . 21.3 mt -71.57 -40.86 69.66 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.1 31.43 6.57 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mt -93.38 -38.53 11.42 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.247 -1.149 . . . . 0.0 108.799 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.75 166.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.673 -0.642 . . . . 0.0 109.48 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.515 -179.895 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.455 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.353 3.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.465 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.497 ' P ' ' HG ' ' A' ' 31' ' ' SER . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.555 3.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.428 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.56 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.569 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.569 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.611 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.571 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.571 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.388 4.485 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.568 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 110.735 3.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.523 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.598 1 O4'-C1'-N19 111.91 5.138 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.523 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.327 4.408 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.48 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.241 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.325 4.407 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.528 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.662 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.652 0 C3'-C2'-C1' 106.697 2.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.662 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.432 4.539 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.432 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.859 5.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.641 4.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.418 4.522 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.604 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.604 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.092 4.114 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.609 0 O4'-C1'-N19 110.781 3.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 1 O4'-C1'-N19 111.276 4.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.668 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.97 3.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.668 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.81 1 O4'-C1'-N19 111.007 4.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.562 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.611 0 O4'-C1'-N19 110.809 3.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.562 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.302 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.411 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.402 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.611 3.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 tttp . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.572 ' HG ' ' N ' ' A' ' 15' ' ' ILE . 29.0 t -161.01 172.34 17.05 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.494 -0.754 . . . . 0.0 109.409 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.572 ' N ' ' HG ' ' A' ' 14' ' ' SER . 63.3 mt -142.3 163.45 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.515 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 24.0 m95 -146.79 154.28 41.19 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.7 m -151.41 159.41 44.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.226 -0.921 . . . . 0.0 110.976 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.01 163.38 60.46 Favored Pre-proline 0 C--N 1.303 -1.446 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.89 -37.63 84.61 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.006 1.804 . . . . 0.0 111.667 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.94 -30.04 68.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.43 -0.794 . . . . 0.0 110.744 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.81 -40.29 40.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.895 -1.128 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.94 -51.35 27.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.588 -0.695 . . . . 0.0 110.114 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -28.6 35.6 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.323 -0.861 . . . . 0.0 108.984 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.81 -13.2 59.59 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.796 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.82 150.96 32.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.95 -1.094 . . . . 0.0 109.882 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.8 147.45 53.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.36 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.18 -23.64 5.99 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 29' ' ' PRO . 11.6 mmt -93.58 140.84 23.24 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.368 -1.078 . . . . 0.0 109.412 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 28' ' ' MET . 83.6 Cg_exo -41.89 171.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.91 1.74 . . . . 0.0 112.538 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.84 30.94 5.71 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.37 137.11 24.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.518 -0.99 . . . . 0.0 108.616 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.38 -50.13 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.19 -0.944 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.6 -40.46 79.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.051 -1.03 . . . . 0.0 108.429 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.89 -34.62 45.84 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -65.69 -63.59 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.124 -1.221 . . . . 0.0 109.072 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.476 ' ND1' ' OH ' ' A' ' 60' ' ' TYR . 47.2 m-70 -48.89 -25.64 2.02 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.573 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 20.6 t80 -61.0 -75.05 0.07 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.303 -0.873 . . . . 0.0 109.0 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.688 HH21 HE22 ' A' ' 42' ' ' GLN . 48.1 mtp180 -52.31 -35.81 51.51 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.027 . . . . 0.0 109.419 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -50.77 -54.0 27.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.427 -0.796 . . . . 0.0 110.666 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.7 p30 -74.29 -43.96 54.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.043 -1.035 . . . . 0.0 109.783 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.36 -41.59 87.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.489 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.688 HE22 HH21 ' A' ' 38' ' ' ARG . 64.4 mt-30 -86.66 -41.75 13.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 96.74 49.82 1.9 Allowed Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -65.93 148.22 52.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -1.123 . . . . 0.0 109.461 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.5 m -71.47 156.89 38.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -141.87 128.92 20.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.671 1.224 . . . . 0.0 112.303 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -101.11 128.08 47.36 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -71.22 123.62 22.63 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 121.287 -0.883 . . . . 0.0 110.28 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ALA . 57.0 tttp -104.17 136.04 44.53 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.8 mt-10 -131.0 -38.77 1.23 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.249 -0.907 . . . . 0.0 110.675 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -32.08 -32.16 0.01 OUTLIER Glycine 0 N--CA 1.503 3.137 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 41.0 t -90.61 155.05 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.196 -1.179 . . . . 0.0 109.577 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 55' ' ' GLY . 70.8 mttt -50.65 -175.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.338 -0.851 . . . . 0.0 110.11 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.557 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.66 -39.29 0.18 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 70.18 -21.62 0.51 Allowed Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.015 -1.285 . . . . 0.0 110.044 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.8 mtpp -69.82 -14.07 62.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.096 -1.238 . . . . 0.0 109.326 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -47.49 134.36 12.1 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.421 -0.799 . . . . 0.0 110.855 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.53 126.81 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -94.48 168.91 10.57 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.97 -1.081 . . . . 0.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.476 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 78.8 m-85 -124.61 150.87 45.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' SD ' ' A' ' 65' ' ' MET . 20.2 t0 -77.3 113.73 15.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.219 -0.926 . . . . 0.0 111.132 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 88.1 t -62.94 -28.96 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.7 mmt -69.73 -2.52 12.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.265 -0.897 . . . . 0.0 108.732 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 57.2 p -101.56 -15.11 17.19 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.647 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.26 147.5 98.26 Favored Pre-proline 0 C--N 1.31 -1.12 0 O-C-N 121.227 -0.92 . . . . 0.0 108.914 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -40.15 142.27 0.61 Allowed 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.766 1.644 . . . . 0.0 111.192 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -43.86 -61.73 1.34 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.282 -0.887 . . . . 0.0 110.032 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -50.58 -46.52 57.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.22 -0.925 . . . . 0.0 109.4 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -59.78 -36.75 77.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.544 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -53.84 -45.42 70.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.901 -1.125 . . . . 0.0 109.587 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.677 -0.639 . . . . 0.0 109.329 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -63.91 -44.75 91.98 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.717 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 t -70.17 -52.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.9 mt -56.7 -37.0 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.299 -0.876 . . . . 0.0 108.652 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.89 51.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.71 -40.03 63.89 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.12 35.47 7.58 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.96 -85.65 0.33 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.293 -1.122 . . . . 0.0 109.076 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.2 p 56.26 -165.46 0.13 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.413 -0.805 . . . . 0.0 109.618 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.412 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 0 O4'-C1'-N19 110.904 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.532 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.532 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.941 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.491 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.976 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.513 ' OP2' ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.305 3.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.474 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.582 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.582 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.468 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.503 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.1 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.601 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.088 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.601 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.486 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.612 1 O4'-C1'-N19 112.25 5.563 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.502 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.089 1 O4'-C1'-N19 111.816 5.02 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.502 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 111.323 4.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.543 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.022 0 O4'-C1'-N19 110.679 3.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.649 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 C3'-C2'-C1' 106.79 2.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.649 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.41 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 111.715 4.893 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.41 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.646 4.807 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 1 O4'-C1'-N19 111.241 4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.617 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.107 1 O4'-C1'-N19 111.248 4.309 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.617 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.204 4.256 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.173 0 O4'-C1'-N19 110.88 3.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.212 1 O4'-C1'-N19 111.259 4.324 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.518 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.336 3.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.518 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.189 0 O4'-C1'-N19 110.474 3.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.423 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.751 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.449 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.432 3.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.458 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 111.443 4.553 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.458 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 111.817 5.021 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.466 ' HG ' ' H ' ' A' ' 15' ' ' ILE . 27.5 t -161.3 175.38 12.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 109.746 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.526 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 65.5 mt -143.13 162.53 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.526 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 18.7 m95 -145.35 155.55 43.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.739 -0.601 . . . . 0.0 109.662 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.8 m -151.46 156.42 40.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 110.919 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -81.66 150.88 67.28 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -41.88 -48.18 6.14 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.13 1.886 . . . . 0.0 112.714 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -56.08 -31.42 63.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.411 -0.806 . . . . 0.0 110.841 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.83 -37.19 56.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.791 -1.193 . . . . 0.0 108.679 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.6 mt -76.17 -51.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.674 -0.641 . . . . 0.0 110.336 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ptm -51.86 -29.36 19.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.274 -0.891 . . . . 0.0 108.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.36 -12.0 59.64 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.671 -0.643 . . . . 0.0 110.295 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.76 153.17 27.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.609 -1.307 . . . . 0.0 109.815 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 28' ' ' MET . 31.2 m-20 -65.41 152.76 43.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 0.0 109.572 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.83 4.63 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.4 ' H ' ' C ' ' A' ' 26' ' ' ASP . 23.7 mmt -91.36 150.1 40.77 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.249 -1.148 . . . . 0.0 109.384 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.575 ' C ' ' H ' ' A' ' 31' ' ' SER . 47.5 Cg_endo -69.91 126.92 13.76 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.025 1.817 . . . . 0.0 112.026 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.82 30.81 0.63 Allowed Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.575 ' H ' ' C ' ' A' ' 29' ' ' PRO . 24.0 m -129.79 123.52 31.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.617 -0.931 . . . . 0.0 108.535 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 t -51.61 -40.32 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 109.493 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.89 60.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.042 -1.036 . . . . 0.0 108.862 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.49 -38.85 35.78 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.15 -51.58 69.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -1.188 . . . . 0.0 108.753 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' NE2' ' P ' ' C' ' 129' ' ' ' DG' . 77.3 m-70 -56.66 -26.68 56.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.481 -0.762 . . . . 0.0 109.757 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.532 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.8 t80 -60.04 -73.23 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.597 HH21 HE22 ' A' ' 42' ' ' GLN . 7.5 ptm180 -54.81 -30.27 56.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.329 -0.857 . . . . 0.0 109.092 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.97 48.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.165 -0.96 . . . . 0.0 110.724 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 9.6 p30 -73.44 -38.43 65.52 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.143 -0.973 . . . . 0.0 109.935 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -69.2 -36.4 72.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.963 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.597 HE22 HH21 ' A' ' 38' ' ' ARG . 80.4 mt-30 -87.59 -24.66 23.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.6 51.93 3.9 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.531 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.5 m0 -67.56 144.9 55.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -1.106 . . . . 0.0 109.84 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.3 m -72.95 155.26 40.03 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -139.79 135.74 33.35 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.502 1.144 . . . . 0.0 112.176 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.4 123.9 51.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -74.43 125.8 29.34 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.521 -0.737 . . . . 0.0 111.232 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HZ2' ' CG ' ' A' ' 59' ' ' GLU . 24.6 mtpp -70.39 -178.74 1.81 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.447 -0.783 . . . . 0.0 109.033 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -131.96 -60.27 0.92 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.11 -0.994 . . . . 0.0 111.454 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.21 1.47 49.16 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 121.283 -0.885 . . . . 0.0 112.81 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.6 t -91.05 128.25 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.388 -1.654 . . . . 0.0 110.43 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 55' ' ' GLY . 30.4 mttp -53.66 -174.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.374 -0.829 . . . . 0.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.578 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.87 -31.19 0.24 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.23 -38.87 0.26 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.578 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.1 mtpp -62.5 -4.14 1.78 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.102 -1.234 . . . . 0.0 108.533 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -65.8 120.82 13.71 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.503 -0.748 . . . . 0.0 110.735 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.71 139.84 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.484 -0.76 . . . . 0.0 109.433 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.578 ' CG ' ' HZ2' ' A' ' 49' ' ' LYS . 23.3 mt-10 -92.7 173.64 7.67 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.244 -0.91 . . . . 0.0 108.647 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.4 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 73.9 m-85 -128.28 149.86 50.31 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.435 -0.79 . . . . 0.0 108.947 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -75.65 118.56 18.61 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.279 -0.888 . . . . 0.0 110.778 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.437 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 77.2 t -64.21 -30.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 121.659 0.742 . . . . 0.0 109.399 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.81 -6.12 47.21 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.638 -0.664 . . . . 0.0 110.31 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.3 p -97.63 -8.61 28.51 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.531 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 18.7 mmt -73.82 150.37 88.39 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.78 -0.575 . . . . 0.0 109.657 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 79.9 Cg_exo -41.89 141.81 1.63 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.462 1.441 . . . . 0.0 110.89 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 17.3 m -43.47 -59.27 2.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.279 -0.888 . . . . 0.0 110.052 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -51.77 -47.68 64.04 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.289 -0.882 . . . . 0.0 109.334 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -58.32 -37.19 74.6 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.474 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -54.03 -47.28 71.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.883 -1.135 . . . . 0.0 109.744 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.22 -34.7 74.02 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.503 -0.748 . . . . 0.0 109.509 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.38 -50.91 68.04 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.977 -1.089 . . . . 0.0 108.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.65 -50.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.606 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.9 mt -55.36 -35.02 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.016 . . . . 0.0 109.205 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.04 -40.46 24.18 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.133 -0.979 . . . . 0.0 108.743 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.76 -35.4 80.47 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.76 -49.74 36.27 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.16 24.96 4.61 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 7.6 mp -93.87 -39.23 10.81 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.798 -1.413 . . . . 0.0 108.948 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.1 p 55.54 -175.58 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.34 -0.85 . . . . 0.0 109.314 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.402 -179.822 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.438 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.426 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.901 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.608 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.4 3.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.608 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.397 4.496 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.498 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.402 3.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.498 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.076 4.095 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.544 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.544 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.937 3.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.569 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.035 1 O4'-C1'-N19 111.253 4.317 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.624 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.624 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.548 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 112.023 5.279 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.503 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.553 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.24 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.553 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.789 1 O4'-C1'-N19 111.054 4.068 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.702 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 C3'-C2'-C1' 107.158 3.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.702 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.015 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.498 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.671 1 O4'-C1'-N19 111.84 5.05 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 1 O4'-C1'-N19 111.721 4.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.471 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.943 1 O4'-C1'-N19 111.281 4.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.471 " O5'" H2'' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.343 4.429 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.468 H2'' " O5'" ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.478 1 O4'-C1'-N19 111.258 4.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.468 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 1 O4'-C1'-N19 111.258 4.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.538 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.483 0 O4'-C1'-N19 110.73 3.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.538 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-N19 110.899 3.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.504 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.93 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.61 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O4'-C1'-N19 110.48 3.351 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.61 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.465 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 111.183 4.228 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.379 0.609 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.512 ' HG ' ' H ' ' A' ' 15' ' ' ILE . 29.4 t -159.57 171.47 19.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.885 . . . . 0.0 109.409 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 69.8 mt -143.29 161.85 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.529 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 20.9 m95 -144.51 159.02 43.47 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.139 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.485 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 21.2 m -148.86 154.89 40.13 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.87 -1.144 . . . . 0.0 111.246 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -82.47 151.45 65.46 Favored Pre-proline 0 N--CA 1.489 1.477 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.027 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.04 -52.65 2.74 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.201 1.934 . . . . 0.0 112.85 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -30.99 56.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 111.04 -178.557 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -35.05 59.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.57 -1.331 . . . . 0.0 108.935 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 25' ' ' ALA . 67.9 mt -74.75 -60.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 110.221 -179.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -24.95 2.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -0.948 . . . . 0.0 109.033 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.97 -17.74 49.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -83.24 142.0 31.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.9 -1.125 . . . . 0.0 109.184 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.14 161.17 7.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.784 -1.198 . . . . 0.0 108.775 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.33 -19.81 7.96 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.457 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 29.1 mmt -92.0 148.54 37.12 Favored Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.155 -1.203 . . . . 0.0 109.682 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -35.94 -69.79 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.919 2.413 . . . . 0.0 113.46 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.27 4.01 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 108.856 -1.697 . . . . 0.0 108.856 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -144.58 136.36 25.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.415 -1.05 . . . . 0.0 108.277 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -47.71 -54.13 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.18 80.07 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.08 -1.012 . . . . 0.0 108.309 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.71 -38.7 73.6 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.734 -1.747 . . . . 0.0 108.734 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.04 -48.16 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.096 -1.238 . . . . 0.0 108.526 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.517 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 65.1 m-70 -62.69 -23.96 67.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.547 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 29.7 t80 -61.3 -74.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.341 -0.85 . . . . 0.0 109.051 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -55.62 -33.75 64.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -57.07 -49.55 75.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.947 -1.095 . . . . 0.0 110.84 -179.463 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.5 p30 -72.71 -42.57 64.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 109.524 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.3 -43.69 86.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.3 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.32 -43.09 11.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.422 -0.799 . . . . 0.0 109.707 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 94.63 58.5 1.19 Allowed Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -68.59 151.58 46.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.142 -1.211 . . . . 0.0 110.069 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -75.03 151.06 38.75 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.87 134.74 30.51 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 122.923 1.344 . . . . 0.0 112.606 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -99.34 126.04 45.12 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 47.2 tttp -74.94 124.23 26.54 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.314 -0.866 . . . . 0.0 111.151 -178.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HZ3' ' CD ' ' A' ' 59' ' ' GLU . 24.8 mtpp -71.95 173.07 8.87 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.513 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -131.61 -56.39 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.25 -0.906 . . . . 0.0 110.529 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.4 -9.23 35.79 Favored Glycine 0 N--CA 1.496 2.666 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.135 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.61 129.81 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.511 -1.582 . . . . 0.0 110.243 -179.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.531 ' C ' ' H ' ' A' ' 55' ' ' GLY . 41.0 mttp -51.23 -175.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.937 0.875 . . . . 0.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 64.26 -35.87 0.09 OUTLIER Glycine 0 N--CA 1.488 2.103 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 73.83 -27.2 0.93 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.5 mtpp -68.07 -10.76 56.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -1.147 . . . . 0.0 108.763 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.67 123.12 17.56 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.503 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.84 138.45 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.264 -0.897 . . . . 0.0 109.181 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' CD ' ' HZ3' ' A' ' 49' ' ' LYS . 43.2 mt-10 -92.27 167.98 11.64 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.184 -0.947 . . . . 0.0 108.594 179.227 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -119.16 147.42 44.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.5 -0.75 . . . . 0.0 108.996 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' O ' ' OG ' ' A' ' 64' ' ' SER . 22.9 t0 -76.27 120.09 21.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.396 -0.815 . . . . 0.0 110.989 -178.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 81.8 t -64.78 -29.77 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.335 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.7 mmt -74.08 -4.57 36.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.59 -0.694 . . . . 0.0 109.622 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 96.1 p -102.63 -6.26 22.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 mmt -71.54 152.7 93.81 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.646 -0.659 . . . . 0.0 109.537 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -44.42 142.81 4.2 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.515 1.476 . . . . 0.0 110.776 178.117 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -43.11 -60.93 1.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.311 -0.868 . . . . 0.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -52.85 -43.85 66.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -61.57 -35.24 77.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.888 -179.04 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -54.24 -59.66 4.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.07 -31.29 68.75 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -65.76 -53.41 40.84 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.636 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.53 -50.43 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.632 -0.667 . . . . 0.0 109.466 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mt -53.89 -29.16 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.17 -41.91 27.36 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -64.08 -38.0 89.48 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.445 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.2 mt -72.21 -36.64 69.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.45 43.83 9.09 Favored Glycine 0 N--CA 1.485 1.94 0 N-CA-C 106.478 -2.649 . . . . 0.0 106.478 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -76.29 0.34 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.386 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 t 63.61 176.86 0.16 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.379 179.955 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.438 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.401 3.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.438 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 110.644 3.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.602 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.732 0 C3'-C2'-C1' 107.299 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.602 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.441 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.564 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.578 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.988 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.578 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.532 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.187 4.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.591 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.171 1 O4'-C1'-N19 111.289 4.362 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.591 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.574 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 1 O4'-C1'-N19 111.861 5.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.574 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.426 4.532 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.521 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.855 3.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.629 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.848 0 C3'-C2'-C1' 107.321 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.629 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O4'-C1'-N19 110.594 3.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.506 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C1'-N19 111.649 4.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.474 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.467 4.584 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.473 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.153 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.657 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.878 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.657 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 111.064 4.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.421 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.877 3.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.431 4.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.622 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.635 3.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.622 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.158 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.434 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.514 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.49 0 O4'-C1'-N19 110.539 3.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.514 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.939 0 O4'-C1'-N19 110.359 3.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.487 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.532 0 O4'-C1'-N19 110.351 3.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.432 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 29.0 t -160.22 175.2 13.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.326 -0.859 . . . . 0.0 109.672 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.534 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 66.2 mt -143.33 161.64 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.534 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.3 m95 -145.06 160.13 41.87 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.323 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 43.4 m -147.17 160.94 41.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.954 -1.091 . . . . 0.0 110.871 -178.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -78.74 145.43 66.67 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.22 -50.82 4.23 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.696 1.597 . . . . 0.0 112.658 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -61.6 -25.03 67.08 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.387 -0.82 . . . . 0.0 111.185 -178.305 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -74.61 -36.19 62.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.51 -1.369 . . . . 0.0 108.88 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.0 mt -73.64 -55.27 12.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 O-C-N 121.741 -0.599 . . . . 0.0 110.212 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' PRO . 8.5 ptt? -54.27 -21.69 9.84 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.16 -18.0 50.93 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.11 27.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.136 -0.978 . . . . 0.0 109.898 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.529 ' C ' ' H ' ' A' ' 28' ' ' MET . 22.2 m-20 -65.91 159.62 25.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.95 -1.093 . . . . 0.0 108.779 179.113 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -27.05 1.48 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.529 ' H ' ' C ' ' A' ' 26' ' ' ASP . 11.7 mmt -94.8 140.37 22.52 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.594 -0.944 . . . . 0.0 109.382 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 28' ' ' MET . 89.3 Cg_exo -44.79 179.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.899 1.733 . . . . 0.0 112.568 179.307 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.96 35.13 3.21 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -146.08 143.61 29.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.546 -0.973 . . . . 0.0 108.872 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.5 t -53.7 -50.16 52.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.221 -0.924 . . . . 0.0 109.43 -179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.32 80.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.116 -0.99 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.35 -39.21 28.29 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.89 -53.87 36.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.247 -1.149 . . . . 0.0 108.166 179.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.678 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 60.4 m-70 -55.16 -22.98 19.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.242 -0.911 . . . . 0.0 109.259 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.54 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.0 t80 -63.09 -76.48 0.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.322 -0.861 . . . . 0.0 108.906 179.298 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.567 HH21 HE22 ' A' ' 42' ' ' GLN . 53.6 mtp180 -53.78 -36.05 61.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.61 -49.38 62.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.16 -0.963 . . . . 0.0 110.403 -178.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 12.7 p30 -74.98 -43.1 55.92 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.079 -1.013 . . . . 0.0 109.739 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.34 -41.67 91.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.339 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.567 HE22 HH21 ' A' ' 38' ' ' ARG . 71.4 mt-30 -87.18 -33.61 19.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.305 -0.872 . . . . 0.0 109.633 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 84.29 54.5 2.98 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.476 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.7 m0 -65.86 147.77 52.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -1.177 . . . . 0.0 109.799 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m -71.32 154.89 41.26 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 176.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -141.37 131.67 25.05 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.632 -1.293 . . . . 0.0 112.405 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.83 134.15 47.62 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.18 128.18 34.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.315 -0.866 . . . . 0.0 110.7 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 50' ' ' GLU . 67.2 tttt -99.03 147.97 24.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.419 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' VAL . 6.2 mm-40 -129.38 -40.22 1.45 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -178.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.29 -39.26 0.02 OUTLIER Glycine 0 N--CA 1.504 3.177 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' GLU . 60.3 t -93.83 140.57 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.373 -1.075 . . . . 0.0 108.868 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -172.94 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 108.381 179.561 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 87.12 -37.87 3.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.51 -27.16 0.47 Allowed Glycine 0 N--CA 1.491 2.35 0 O-C-N 121.092 -1.24 . . . . 0.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 54' ' ' GLY . 23.5 mtpp -70.22 -17.87 63.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.312 . . . . 0.0 109.357 -179.738 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.17 130.98 7.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.31 -0.869 . . . . 0.0 110.216 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 7.4 p -146.36 126.84 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.905 . . . . 0.0 109.685 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -93.35 166.94 12.05 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.122 -0.986 . . . . 0.0 109.316 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.678 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 98.0 m-85 -121.93 149.81 42.89 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD1' ' CE2' ' A' ' 16' ' ' TRP . 2.9 t70 -78.99 120.81 24.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 111.105 -177.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 53.8 t -64.61 -29.86 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.552 -0.717 . . . . 0.0 109.097 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.3 mmt -74.66 -7.22 52.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.52 -0.737 . . . . 0.0 110.486 -178.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.6 p -98.11 -7.31 29.84 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.476 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 23.1 mmt -73.14 151.3 90.25 Favored Pre-proline 0 N--CA 1.487 1.407 0 O-C-N 121.71 -0.619 . . . . 0.0 109.709 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.33 145.65 0.87 Allowed 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.577 1.518 . . . . 0.0 111.133 178.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.9 m -47.53 -57.57 5.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.985 -1.072 . . . . 0.0 109.358 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' OE2' ' A' ' 71' ' ' GLU . 63.4 mmtt -51.26 -46.2 62.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.203 -0.936 . . . . 0.0 109.002 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.94 -32.15 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.501 -0.75 . . . . 0.0 110.44 -178.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -56.98 -64.13 0.98 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.763 -1.211 . . . . 0.0 110.061 -179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 72' ' ' GLN . 2.4 pp20? -58.52 -27.28 64.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 108.357 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 9.0 tp-100 -66.65 -53.91 28.93 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.878 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.65 -49.03 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.519 -0.738 . . . . 0.0 109.84 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.598 ' CG2' ' H ' ' A' ' 80' ' ' SER . 68.7 mt -52.26 -39.83 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.909 -1.119 . . . . 0.0 108.224 179.705 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.58 -40.18 76.87 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.713 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.15 -38.69 91.98 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -71.02 -36.34 72.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.36 35.89 11.52 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.5 mt -97.62 -84.23 0.38 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.963 . . . . 0.0 109.403 -179.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.598 ' H ' ' CG2' ' A' ' 74' ' ' ILE . 9.1 p 48.6 -151.57 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.825 . . . . 0.0 109.504 -179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.31 -179.927 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.39 3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.406 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.555 0 O4'-C1'-N19 110.451 3.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.573 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.79 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.573 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.193 4.242 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.676 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.5 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.532 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.894 0 O4'-C1'-N19 110.491 3.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.532 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.598 1 O4'-C1'-N19 111.08 4.1 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.546 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.97 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.563 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.628 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.563 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.624 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.079 4.099 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.624 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.557 4.697 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.581 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.69 3.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.568 3.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.661 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 C3'-C2'-C1' 107.141 3.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.661 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.094 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.548 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.806 5.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.548 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.952 3.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.354 4.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.532 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.977 0 O4'-C1'-N19 110.836 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.532 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.517 1 O4'-C1'-N19 111.066 4.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.44 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.55 4.867 0 O4'-C1'-N19 110.923 3.903 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.576 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.558 3.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.576 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 111.069 4.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.561 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.087 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.501 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.501 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.017 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.446 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.732 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . 0.445 " O5'" H2'' ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 pttt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -160.95 175.94 11.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.099 -1.001 . . . . 0.0 110.215 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 75.1 mt -140.39 163.34 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.06 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.613 ' CD1' ' NH2' ' A' ' 47' ' ' ARG . 13.1 m95 -148.39 156.92 43.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.765 -0.584 . . . . 0.0 109.543 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.5 m -150.98 157.14 42.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.176 -0.953 . . . . 0.0 111.104 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -80.17 156.21 74.27 Favored Pre-proline 0 C--N 1.304 -1.408 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.34 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.55 -38.22 83.47 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.973 1.782 . . . . 0.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.09 -35.65 71.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.065 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -75.09 -38.52 61.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.836 -1.165 . . . . 0.0 108.67 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.56 -57.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.767 -0.583 . . . . 0.0 110.343 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -50.44 -25.73 4.27 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.07 -12.34 60.01 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.62 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.7 165.8 24.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 109.483 -179.672 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.573 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -66.04 -82.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.271 -0.893 . . . . 0.0 111.599 -179.054 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' H ' ' HG2' ' A' ' 72' ' ' GLN . . . -49.98 -4.22 0.04 OUTLIER Glycine 0 N--CA 1.496 2.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.573 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.5 mmt -97.28 143.31 25.93 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.032 -1.275 . . . . 0.0 110.786 -179.088 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' MET . 71.6 Cg_exo -45.67 177.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 121.831 1.687 . . . . 0.0 112.017 178.447 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.95 30.65 5.42 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -146.78 140.84 26.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.313 -1.11 . . . . 0.0 109.173 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.2 t -55.88 -38.69 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.15 -0.969 . . . . 0.0 109.368 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.22 -43.03 71.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.781 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.16 -32.47 20.85 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -58.91 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.11 -1.229 . . . . 0.0 108.876 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -53.36 -27.11 21.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.493 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 31.6 t80 -57.61 -76.11 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.614 HH21 HE22 ' A' ' 42' ' ' GLN . 52.7 mtp180 -47.71 -47.99 29.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -0.907 . . . . 0.0 109.895 179.279 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.65 -32.05 49.96 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 111.153 -178.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 1.2 p30 -77.1 -48.6 17.33 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.772 -1.205 . . . . 0.0 109.328 -179.144 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' ASN . 2.7 p -76.94 -32.47 19.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.985 -178.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.614 HE22 HH21 ' A' ' 38' ' ' ARG . 53.6 mt-30 -85.14 -25.26 27.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.936 -1.103 . . . . 0.0 109.494 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.5 54.02 8.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -66.96 145.67 55.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -1.157 . . . . 0.0 110.053 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.3 m -72.68 146.69 46.34 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -140.31 133.3 29.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.769 -1.207 . . . . 0.0 112.403 -178.239 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.613 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 17.6 ttm180 -98.6 125.43 43.86 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.364 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -74.23 122.58 23.05 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.3 -0.875 . . . . 0.0 110.683 -178.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HZ2' ' CD ' ' A' ' 59' ' ' GLU . 21.4 mtpp -71.15 170.01 13.87 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.309 -0.87 . . . . 0.0 108.782 178.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -132.28 -57.82 0.95 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.232 -0.917 . . . . 0.0 110.976 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.39 -8.26 24.23 Favored Glycine 0 N--CA 1.496 2.655 0 O-C-N 121.346 -0.846 . . . . 0.0 112.283 -177.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 53' ' ' LYS . 93.6 t -90.31 132.34 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.536 -1.567 . . . . 0.0 110.459 -179.268 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 55' ' ' GLY . 35.3 mttp -54.44 -167.49 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.295 -0.878 . . . . 0.0 109.868 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.37 -37.79 0.12 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.098 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 73.81 -33.11 0.88 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.645 ' HZ3' ' H22' ' B' ' 110' ' ' ' DG' . 12.3 mttp -68.78 -13.38 62.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -1.092 . . . . 0.0 108.931 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.41 113.7 1.38 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 111.328 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.2 m -133.46 136.32 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.433 ' CD ' ' HZ2' ' A' ' 49' ' ' LYS . 23.7 mt-10 -94.8 169.42 10.16 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.851 -1.155 . . . . 0.0 108.893 179.434 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -122.32 146.87 46.91 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' O ' ' OG ' ' A' ' 64' ' ' SER . 50.6 t0 -78.1 112.24 14.84 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.24 -0.913 . . . . 0.0 111.049 -178.508 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.97 -27.79 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.57 -4.24 29.5 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.64 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 99.1 p -103.02 -18.66 14.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.25 -0.906 . . . . 0.0 109.298 179.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.48 159.21 85.68 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.029 . . . . 0.0 109.337 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -40.2 142.43 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.43 2.086 . . . . 0.0 112.024 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 m -47.81 -56.23 7.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.138 -0.976 . . . . 0.0 109.276 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -50.64 -45.22 57.67 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 108.91 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -64.3 -32.28 73.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.333 -0.854 . . . . 0.0 110.317 -179.109 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -54.81 -59.94 4.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.768 -1.207 . . . . 0.0 109.168 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.21 -29.17 69.66 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' HG2' ' H ' ' A' ' 27' ' ' GLY . 41.9 tp60 -65.14 -55.44 18.68 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 108.844 179.193 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.07 -48.52 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.731 -0.606 . . . . 0.0 109.618 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 mt -55.25 -32.68 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.3 -42.45 54.66 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.74 -36.18 80.26 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -74.0 -38.9 63.96 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.66 34.49 10.15 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.403 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt -96.41 -85.54 0.34 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.316 -1.108 . . . . 0.0 109.073 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t 53.52 -166.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.333 -0.854 . . . . 0.0 109.816 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.535 -179.972 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.612 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.534 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.534 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.999 3.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.525 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.582 3.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.525 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.876 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.482 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.932 0 O4'-C1'-N19 110.699 3.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.427 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 111.323 4.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.645 ' H22' ' HZ3' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.964 5.205 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.546 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.303 4.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.546 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.462 ' C6 ' ' C6 ' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.824 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.463 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.481 4.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.53 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.316 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.53 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.466 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.793 0 O4'-C1'-N19 110.507 3.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.674 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.637 0 C3'-C2'-C1' 106.927 3.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.674 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.125 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.426 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-N19 111.805 5.006 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.528 4.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.164 4.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.589 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.317 4.396 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.589 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.741 1 O4'-C1'-N19 111.809 5.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.477 H2'' " O5'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.276 4.345 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . 0.477 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.209 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.625 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.876 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.625 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.877 1 O4'-C1'-N19 111.32 4.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.476 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.876 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.546 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.546 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.805 3.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.478 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.271 4.339 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 0 O4'-C1'-N19 110.758 3.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 tttp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -163.54 172.93 13.7 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.338 -0.851 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.533 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 74.7 mt -143.23 161.3 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.533 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 17.4 m95 -145.54 156.15 43.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 28.4 m -149.81 156.67 42.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.15 -0.969 . . . . 0.0 110.694 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 m -81.28 148.54 63.53 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.93 -47.06 4.95 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.921 1.747 . . . . 0.0 112.491 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.93 -33.48 67.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.785 -178.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.52 -39.25 62.49 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.781 -1.199 . . . . 0.0 108.827 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ALA . 76.2 mt -75.64 -54.57 13.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.48 -0.762 . . . . 0.0 110.2 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -46.96 -27.67 1.36 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.237 -0.914 . . . . 0.0 109.404 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -9.28 59.79 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.733 -0.604 . . . . 0.0 110.23 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -82.45 147.71 28.58 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.784 -1.197 . . . . 0.0 109.73 -179.542 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.14 153.57 33.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.282 -0.886 . . . . 0.0 108.986 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.83 52.1 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.4 mmt -91.73 148.38 37.07 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.071 -1.252 . . . . 0.0 110.419 -179.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -37.76 -68.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 123.041 2.494 . . . . 0.0 113.17 179.462 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.5 17.73 2.59 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.713 ' HG ' ' H ' ' A' ' 34' ' ' GLY . 5.8 p -146.38 142.11 27.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -1.044 . . . . 0.0 108.871 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.36 -52.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.991 -1.068 . . . . 0.0 109.059 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.62 88.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.166 -0.959 . . . . 0.0 108.844 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.713 ' H ' ' HG ' ' A' ' 31' ' ' SER . . . -50.74 -43.9 47.68 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 179.314 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.3 t -61.12 -49.84 83.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.041 -1.27 . . . . 0.0 108.078 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -56.66 -23.24 40.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 109.241 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 19.8 t80 -61.35 -77.24 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.342 -0.849 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 5.0 ptm180 -60.14 -30.46 69.31 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.748 -1.22 . . . . 0.0 110.656 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.76 43.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.745 -1.222 . . . . 0.0 111.627 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.533 ' OD1' ' O ' ' A' ' 37' ' ' TYR . 44.1 p-10 -73.58 -30.45 63.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.912 -1.117 . . . . 0.0 110.201 -178.709 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 73.2 t -76.07 -34.19 26.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.457 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.95 -35.22 19.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.214 -0.929 . . . . 0.0 109.797 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.78 51.22 1.69 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -66.57 141.61 57.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.443 -1.034 . . . . 0.0 109.485 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.2 m -74.22 115.13 13.37 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -105.22 136.94 43.81 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.274 1.035 . . . . 0.0 112.53 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -104.0 136.53 43.47 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -70.61 132.03 44.85 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.112 -0.993 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -108.44 145.05 35.22 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.244 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' VAL . 18.3 mt-10 -130.27 -41.59 1.24 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.294 -0.878 . . . . 0.0 110.396 -178.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.74 -35.34 0.02 OUTLIER Glycine 0 N--CA 1.503 3.13 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' GLU . 10.9 t -91.3 143.59 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.317 -1.107 . . . . 0.0 108.993 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 52' ' ' VAL . 34.3 mttp -52.19 -171.64 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.83 0.824 . . . . 0.0 110.643 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.34 -45.3 0.61 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.37 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 77.88 -22.81 2.75 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.0 mtpp -69.21 -11.22 60.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.353 -1.086 . . . . 0.0 108.851 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 137.86 58.19 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.657 0.742 . . . . 0.0 110.642 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -144.74 138.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -94.38 168.85 10.62 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.991 -1.068 . . . . 0.0 109.319 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -122.16 145.3 48.32 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -77.92 113.48 15.86 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.93 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 47.6 t -60.67 -22.31 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.452 -0.78 . . . . 0.0 109.14 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mmt -77.18 -2.2 33.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.423 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.35 -17.02 14.58 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.33 -0.856 . . . . 0.0 108.903 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 mtm -72.33 148.23 90.8 Favored Pre-proline 0 N--CA 1.487 1.376 0 O-C-N 121.067 -1.021 . . . . 0.0 109.445 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -36.5 138.8 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.279 0 C-N-CA 122.609 2.206 . . . . 0.0 112.121 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -42.38 -56.88 2.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.433 -0.792 . . . . 0.0 109.987 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -52.97 -48.14 67.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.274 -0.892 . . . . 0.0 109.193 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 47.4 mt-10 -58.56 -39.93 81.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.815 -179.388 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -53.07 -43.38 66.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 108.871 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -60.41 -41.84 94.74 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.779 -0.576 . . . . 0.0 109.68 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -64.33 -44.75 90.53 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.89 -179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.7 t -70.41 -51.47 37.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.82 -41.53 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 0.0 108.892 179.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.16 -41.12 62.01 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.808 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -61.25 -37.31 82.65 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.07 -46.07 53.74 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.39 30.93 5.73 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 179.338 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 80' ' ' SER . 6.4 mp -92.03 -92.14 0.16 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.857 -1.378 . . . . 0.0 108.111 179.061 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER 165.21 166.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.702 0.763 . . . . 0.0 109.766 179.766 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 117.976 -1.012 . . . . 0.0 109.627 179.877 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.562 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.562 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.066 4.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.498 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.94 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.498 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.72 ' OP2' ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.441 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.573 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.581 1 O4'-C1'-N19 111.117 4.147 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.573 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.56 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.5 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 1 O4'-C1'-N19 111.134 4.167 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.516 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.225 4.281 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.516 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.846 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.624 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 111.329 4.411 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.624 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.863 5.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.523 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.405 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.548 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.548 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.682 3.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.656 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 C3'-C2'-C1' 106.883 2.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.656 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.733 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.507 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.97 5.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.507 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.326 1 O4'-C1'-N19 111.345 4.431 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.594 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.963 3.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.594 " O5'" H2'' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.415 4.518 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.492 H2'' " O5'" ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.786 1 O4'-C1'-N19 111.243 4.304 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.492 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.15 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.256 4.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.6 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.644 3.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.6 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.988 0 O4'-C1'-N19 110.975 3.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.521 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.516 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.709 0 C3'-C2'-C1' 107.163 3.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.516 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.503 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.502 4.627 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.902 3.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -160.28 172.89 16.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.251 -0.905 . . . . 0.0 109.559 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.529 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 65.3 mt -142.48 161.99 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.427 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.529 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.9 m95 -146.75 153.47 40.26 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.272 0.558 . . . . 0.0 109.498 -179.242 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 11.6 m -149.34 154.82 39.55 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.278 -0.889 . . . . 0.0 111.018 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 m -83.41 147.86 54.07 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -40.6 -42.21 3.96 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.113 1.875 . . . . 0.0 112.822 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -56.0 -35.71 67.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.366 -0.834 . . . . 0.0 110.271 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -77.98 -38.16 45.73 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.018 -1.051 . . . . 0.0 108.843 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.6 mt -75.38 -54.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.662 -0.649 . . . . 0.0 110.023 -179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -52.62 -27.88 18.95 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.246 -0.909 . . . . 0.0 108.947 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.73 59.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.647 -0.658 . . . . 0.0 109.403 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.01 149.1 29.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.085 -1.01 . . . . 0.0 109.895 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.95 152.48 43.15 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.11 -0.994 . . . . 0.0 109.329 179.635 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.46 -27.17 3.75 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' PRO . 24.6 mmt -93.86 139.25 22.62 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.609 -0.936 . . . . 0.0 109.589 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.435 ' O ' ' O ' ' A' ' 28' ' ' MET . 85.8 Cg_exo -42.78 172.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.839 1.692 . . . . 0.0 112.109 178.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.7 35.89 3.9 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -147.24 142.37 27.15 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.406 -1.055 . . . . 0.0 109.128 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.05 -50.34 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.07 -1.019 . . . . 0.0 109.237 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.66 86.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.95 -1.093 . . . . 0.0 108.955 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -36.89 28.65 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.071 -1.611 . . . . 0.0 109.071 179.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -66.15 -56.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.122 -1.222 . . . . 0.0 108.528 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.533 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 78.6 m-70 -49.42 -28.29 5.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.165 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.526 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.2 t80 -59.61 -75.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.577 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -53.95 -31.73 51.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.38 -0.825 . . . . 0.0 109.795 179.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.9 -52.94 63.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 110.899 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 9.9 p30 -73.6 -42.58 61.34 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.165 -0.959 . . . . 0.0 109.882 -179.15 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.24 -42.67 80.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.605 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -88.77 -37.98 15.04 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.254 -0.904 . . . . 0.0 110.079 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.29 52.69 1.56 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.6 m0 -65.88 144.86 56.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -1.082 . . . . 0.0 110.063 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.2 m -73.34 147.01 44.81 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 177.021 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -139.1 130.53 27.06 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 122.546 1.165 . . . . 0.0 111.313 -178.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -101.07 118.81 37.74 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -70.88 116.89 11.71 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.397 -178.18 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 57' ' ' ALA . 20.2 tttt -94.48 149.5 21.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 52' ' ' VAL . 41.9 mt-10 -126.02 -41.01 1.97 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.252 -0.905 . . . . 0.0 110.166 -178.761 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.34 -35.94 0.01 OUTLIER Glycine 0 N--CA 1.502 3.07 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -178.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLU . 16.8 t -89.12 146.69 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.123 -1.222 . . . . 0.0 108.981 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' A' ' 55' ' ' GLY . 17.7 mttp -54.43 -171.43 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.824 0.821 . . . . 0.0 110.162 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.557 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.53 -32.84 0.46 Allowed Glycine 0 N--CA 1.482 1.736 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 70.15 -36.17 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 -179.573 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.1 mttt -61.5 -1.13 0.49 Allowed 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.247 -1.149 . . . . 0.0 108.884 179.648 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.534 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -61.38 110.69 1.51 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 110.874 -178.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 m -140.04 126.76 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.318 -0.864 . . . . 0.0 108.818 178.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 26.3 mp0 -97.63 168.3 10.43 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.257 -0.902 . . . . 0.0 110.499 -179.163 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -112.96 148.5 34.9 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.638 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -78.28 120.96 23.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 111.068 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.21 -25.29 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 121.706 0.765 . . . . 0.0 109.109 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.3 mmt -74.8 -4.85 40.14 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.742 -0.599 . . . . 0.0 110.231 -178.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.44 -7.87 20.61 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.07 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.503 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 20.0 mmt -73.21 150.83 89.96 Favored Pre-proline 0 C--N 1.304 -1.406 0 O-C-N 121.462 -0.773 . . . . 0.0 110.073 -179.217 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.31 144.69 1.08 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 121.543 1.495 . . . . 0.0 110.885 177.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.4 m -47.4 -58.81 3.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.83 -1.169 . . . . 0.0 109.772 -179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -50.18 -44.13 52.7 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 0.0 109.208 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.87 -36.07 82.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 0.0 110.285 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -54.47 -57.54 10.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.925 -1.11 . . . . 0.0 109.865 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.79 -38.07 86.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.73 -49.31 73.54 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.208 -0.997 . . . . 0.0 108.769 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.68 -51.67 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.499 -0.75 . . . . 0.0 109.04 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 80' ' ' SER . 32.8 mt -53.89 -31.24 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.49 -43.31 23.42 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.9 -38.24 87.64 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.65 -36.61 73.49 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.75 26.77 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.16 -81.83 0.31 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.437 -1.037 . . . . 0.0 109.503 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 15.3 m -154.61 -150.72 0.33 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.271 -0.893 . . . . 0.0 110.274 -179.756 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.542 -179.592 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . 0.687 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.369 3.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.546 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.91 1 O4'-C1'-N19 111.074 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.546 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.683 0 O4'-C1'-N19 110.639 3.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.467 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . 0.72 ' OP2' ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.613 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.065 4.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.613 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 110.54 3.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.528 ' C2 ' ' N2 ' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.557 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.95 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.649 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.707 4.884 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.649 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.909 3.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 113' ' ' ' DA' . . . . . 0.514 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.793 1 O4'-C1'-N19 111.929 5.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 114' ' ' ' DT' . . . . . 0.526 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.166 1 O4'-C1'-N19 111.654 4.818 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 115' ' ' ' DC' . . . . . 0.526 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.288 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.587 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.484 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 117' ' ' ' DG' . . . . . 0.587 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.122 0 O4'-C1'-N19 110.911 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.643 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 C3'-C2'-C1' 106.954 3.038 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.643 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.251 4.314 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.454 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.869 1 O4'-C1'-N19 111.794 4.992 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.454 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.164 1 O4'-C1'-N19 111.64 4.8 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 124' ' ' ' DT' . . . . . 0.499 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.116 1 O4'-C1'-N19 111.151 4.189 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.565 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.057 1 O4'-C1'-N19 111.623 4.778 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.565 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.626 4.782 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 127' ' ' ' DC' . . . . . 0.442 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.333 1 O4'-C1'-N19 111.265 4.331 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.024 4.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 129' ' ' ' DG' . . . . . 0.706 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.943 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.706 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.464 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.127 0 O4'-C1'-N19 110.526 3.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 132' ' ' ' DA' . . . . . 0.581 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.5 0 O4'-C1'-N19 110.686 3.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 133' ' ' ' DA' . . . . . 0.581 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.342 4.427 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 134' ' ' ' DG' . . . . . 0.469 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.774 1 O4'-C1'-N19 111.126 4.157 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.392 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 tttp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.485 0.66 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 t -160.69 173.53 15.31 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 109.265 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.3 mt -142.18 162.47 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.3 m95 -147.49 154.06 40.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.759 -0.588 . . . . 0.0 109.657 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 37.2 m -151.45 158.3 43.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.745 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -81.35 144.36 53.52 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -39.71 -44.6 3.41 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.089 1.859 . . . . 0.0 112.738 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.41 -31.41 63.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.329 -0.857 . . . . 0.0 110.292 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.3 -40.49 51.42 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 108.825 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.32 -54.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.564 -0.71 . . . . 0.0 110.263 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -50.5 -27.33 6.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 0.0 109.2 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.34 -8.11 59.69 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 109.929 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.56 152.22 27.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.813 -1.18 . . . . 0.0 110.042 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.03 158.51 25.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.963 -1.086 . . . . 0.0 108.844 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . . . 78.54 -17.47 6.59 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.7 mmt -89.49 150.27 44.13 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 120.969 -1.312 . . . . 0.0 109.835 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -36.81 -65.67 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.885 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.17 18.01 4.33 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -145.88 145.56 30.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -1.029 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -54.48 -48.03 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.125 -0.984 . . . . 0.0 109.202 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.77 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.156 -0.965 . . . . 0.0 109.171 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.27 -43.03 42.55 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.36 -51.45 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.023 -1.281 . . . . 0.0 108.517 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.58 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 45.3 m-70 -53.14 -28.71 27.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.288 -0.883 . . . . 0.0 109.2 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.51 -73.7 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.043 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 43.8 mtp180 -54.74 -36.51 64.87 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.506 -0.746 . . . . 0.0 109.899 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.72 -57.59 7.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.381 -0.824 . . . . 0.0 111.398 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.58 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.48 -36.4 65.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.923 -1.11 . . . . 0.0 109.559 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.1 t -70.43 -42.0 78.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.218 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.487 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 75.7 mt-30 -85.41 -23.3 27.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.138 -0.976 . . . . 0.0 109.972 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 49.63 5.12 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -66.61 143.34 57.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.273 -1.133 . . . . 0.0 109.78 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 m -73.86 154.51 39.43 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -143.55 133.58 24.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.74 -1.225 . . . . 0.0 112.613 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 3.4 tpp180 -98.39 112.09 24.22 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.09 118.69 14.2 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.86 165.28 24.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.5 mt-10 -131.28 -54.72 1.03 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.325 -0.86 . . . . 0.0 110.011 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.27 -16.44 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 O-C-N 121.503 -0.748 . . . . 0.0 111.246 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 45.6 t -88.07 137.26 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.701 -1.47 . . . . 0.0 110.268 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' A' ' 55' ' ' GLY . 37.3 mttp -50.12 169.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.988 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.59 -30.39 0.17 Allowed Glycine 0 N--CA 1.489 2.216 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.316 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 65.11 -10.02 0.42 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.57 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.1 mtpp -73.42 -18.15 61.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 108.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.22 124.17 19.81 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.527 -0.733 . . . . 0.0 110.589 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 56' ' ' LYS . 13.2 m -139.5 138.86 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -92.76 166.13 12.6 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.137 -0.977 . . . . 0.0 108.805 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -118.18 150.59 39.14 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.4 106.85 9.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 110.442 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.18 -26.28 38.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.6 mmm -74.51 -2.54 26.19 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.765 . . . . 0.0 108.978 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.0 p -108.16 -12.51 15.09 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.469 -0.769 . . . . 0.0 109.3 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -72.83 153.84 91.15 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.936 -1.102 . . . . 0.0 109.31 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' THR . 65.6 Cg_exo -39.26 136.97 0.86 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.198 1.932 . . . . 0.0 111.613 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PRO . 74.6 m -43.85 -54.35 5.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.488 -0.758 . . . . 0.0 109.724 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -53.22 -49.82 65.99 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.003 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 27' ' ' GLY . 39.5 mm-40 -57.97 -42.35 84.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.458 -0.776 . . . . 0.0 110.148 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -50.54 -45.63 56.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.047 -1.033 . . . . 0.0 109.605 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -60.91 -38.68 86.57 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.411 -0.806 . . . . 0.0 109.293 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -63.98 -44.83 91.52 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.241 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.7 t -71.35 -54.44 17.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' GLY . 1.6 mp -54.5 -38.47 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.92 -1.112 . . . . 0.0 108.374 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.87 60.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.102 -0.998 . . . . 0.0 108.692 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -63.01 -38.45 91.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.17 -37.58 66.5 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.73 38.82 8.5 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.495 1.819 0 O-C-N 121.515 -0.991 . . . . 0.0 109.775 -179.528 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.228 0.537 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.8 t -160.15 173.36 15.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.249 -0.907 . . . . 0.0 109.54 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 16' ' ' TRP . 74.9 mt -141.13 160.91 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.515 ' N ' HG22 ' A' ' 15' ' ' ILE . 13.5 m95 -146.62 157.55 43.74 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.6 m -148.88 156.6 42.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.143 -0.973 . . . . 0.0 110.869 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 161.63 71.2 Favored Pre-proline 0 C--N 1.301 -1.524 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.6 -46.08 32.46 Favored 'Trans proline' 0 C--N 1.299 -2.067 0 C-N-CA 122.014 1.809 . . . . 0.0 111.534 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.31 -26.2 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 110.784 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.98 -40.13 47.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.759 -1.213 . . . . 0.0 109.47 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.9 mt -73.92 -50.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.512 -0.742 . . . . 0.0 110.332 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -27.28 28.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 0.0 108.761 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.96 57.79 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.96 149.21 30.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.896 -1.127 . . . . 0.0 109.39 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.8 m-20 -65.04 156.14 32.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.764 -1.21 . . . . 0.0 108.69 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.86 -23.7 2.52 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 29' ' ' PRO . 13.8 mmt -94.03 143.76 26.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.263 -1.14 . . . . 0.0 109.835 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.5 Cg_exo -41.87 169.72 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 121.969 1.779 . . . . 0.0 112.24 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.2 28.83 6.42 Favored Glycine 0 N--CA 1.499 2.849 0 N-CA-C 108.606 -1.797 . . . . 0.0 108.606 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -145.23 133.7 21.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.525 -0.985 . . . . 0.0 108.785 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 32' ' ' VAL . 7.6 t -49.77 -46.61 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.036 -1.04 . . . . 0.0 109.197 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.93 77.28 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.977 -1.077 . . . . 0.0 108.688 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -31.55 71.13 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.76 -51.62 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.39 -1.065 . . . . 0.0 108.906 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.525 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 91.7 m-70 -63.93 -19.99 65.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.264 -0.897 . . . . 0.0 109.54 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -62.05 -74.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.287 -0.883 . . . . 0.0 109.062 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.47 -38.26 68.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 0.0 109.945 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -52.59 -47.43 66.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.137 -0.977 . . . . 0.0 110.545 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 14.6 p30 -74.03 -46.58 42.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.174 -0.953 . . . . 0.0 109.544 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.1 t -64.47 -42.46 95.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.683 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 15.9 mt-30 -87.73 -28.21 21.89 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.299 -0.876 . . . . 0.0 110.0 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 79.3 60.35 2.54 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.322 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.503 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 45.3 m0 -68.4 139.99 55.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.18 -1.188 . . . . 0.0 109.352 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.403 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 1.3 m -71.12 114.51 9.25 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -102.18 137.19 40.77 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 122.506 1.146 . . . . 0.0 113.98 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 6.0 ttm-85 -96.11 140.61 30.58 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 175.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -77.69 117.8 19.45 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.108 -0.995 . . . . 0.0 110.237 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HZ2' ' CB ' ' A' ' 49' ' ' LYS . 5.3 ttpm? -96.97 145.9 25.48 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' VAL . 26.6 mt-10 -130.95 -42.87 1.09 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.24 -0.913 . . . . 0.0 110.768 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -33.78 -29.0 0.01 OUTLIER Glycine 0 N--CA 1.501 2.993 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 50' ' ' GLU . 72.5 t -89.81 124.07 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.167 -1.196 . . . . 0.0 109.598 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.01 121.97 12.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.115 -0.991 . . . . 0.0 108.569 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 153.98 -29.12 0.73 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.38 -34.62 0.55 Allowed Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.245 -1.15 . . . . 0.0 110.279 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.3 mtpp -73.49 -3.95 30.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.255 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.93 123.92 20.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 111.436 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.7 m -145.51 133.3 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -93.37 176.75 6.27 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.125 -0.984 . . . . 0.0 109.101 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -130.88 143.64 50.88 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.217 -0.927 . . . . 0.0 109.942 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 33.6 t0 -78.53 114.45 17.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.62 -0.675 . . . . 0.0 111.173 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 -24.83 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.431 -0.793 . . . . 0.0 109.079 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.25 -0.76 8.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 108.77 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 p -107.35 -9.41 16.04 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.648 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.84 152.37 96.05 Favored Pre-proline 0 C--N 1.307 -1.249 0 O-C-N 121.397 -0.815 . . . . 0.0 109.882 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -42.17 145.36 0.87 Allowed 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.747 1.631 . . . . 0.0 111.289 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -46.59 -59.85 2.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.172 -0.955 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -51.63 -44.89 63.08 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.328 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.77 -38.14 84.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.314 -0.866 . . . . 0.0 109.961 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -51.21 -63.01 1.27 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.912 -1.117 . . . . 0.0 109.406 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.58 -53.36 43.03 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -70.93 -51.56 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.32 -28.61 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.027 -1.046 . . . . 0.0 108.188 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.89 -39.04 24.44 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 119.473 -0.891 . . . . 0.0 108.84 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.89 -43.44 65.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 79' ' ' LEU . . . 105.96 23.29 7.49 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.593 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.5 2.05 0 O-C-N 121.125 -1.221 . . . . 0.0 108.284 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 pttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -160.52 179.93 8.19 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 109.66 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 16' ' ' TRP . 82.3 mt -140.68 162.38 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.561 ' N ' HG22 ' A' ' 15' ' ' ILE . 17.4 m95 -145.65 153.55 41.15 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.327 0.584 . . . . 0.0 109.492 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.5 m -146.76 154.92 41.96 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.401 -0.812 . . . . 0.0 110.316 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 m -80.87 149.43 67.13 Favored Pre-proline 0 N--CA 1.49 1.554 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -41.3 -44.89 5.73 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.853 1.702 . . . . 0.0 112.126 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.69 -33.94 68.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.536 -0.728 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -37.63 56.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.794 -1.191 . . . . 0.0 108.557 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ALA . 93.7 mt -75.78 -57.11 6.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.479 -0.763 . . . . 0.0 110.033 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.0 ptm -49.22 -26.73 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.105 . . . . 0.0 108.736 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.17 -14.13 56.11 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.041 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -81.61 148.26 29.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.884 -1.135 . . . . 0.0 109.072 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.35 158.55 20.2 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.001 -1.062 . . . . 0.0 109.321 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 -15.94 14.58 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.3 mmt -92.43 149.92 39.11 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.131 -1.217 . . . . 0.0 110.403 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -36.99 -63.13 0.23 Allowed 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.706 2.271 . . . . 0.0 112.744 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.38 6.0 Favored Glycine 0 N--CA 1.499 2.88 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -145.72 142.64 29.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.334 -1.098 . . . . 0.0 109.074 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.18 -48.89 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.045 -1.034 . . . . 0.0 108.706 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.36 75.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.059 -1.026 . . . . 0.0 108.589 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.87 -38.68 46.49 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.553 -1.819 . . . . 0.0 108.553 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.05 -55.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.318 -1.107 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.485 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 76.5 m-70 -53.31 -29.77 35.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.459 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.3 t80 -59.1 -76.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.434 -0.791 . . . . 0.0 108.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -53.63 -33.31 54.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 110.054 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -51.56 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 111.026 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.3 p30 -73.23 -41.81 63.32 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 109.995 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.67 -41.33 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.516 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -87.98 -39.11 14.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.439 -0.788 . . . . 0.0 109.836 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 52.99 1.53 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -66.46 147.16 53.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -1.13 . . . . 0.0 110.32 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -75.08 139.86 43.08 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -132.72 134.15 44.41 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 122.782 1.277 . . . . 0.0 111.556 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.03 118.82 35.48 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 10.4 ttpp -72.13 103.94 3.46 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 9.8 mtpp -78.81 155.66 29.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.069 -1.02 . . . . 0.0 109.075 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.3 mm-40 -131.15 -58.85 1.0 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.16 -16.82 0.04 OUTLIER Glycine 0 N--CA 1.495 2.617 0 O-C-N 121.515 -0.741 . . . . 0.0 111.269 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 5.6 t -87.67 141.39 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.794 -1.415 . . . . 0.0 109.94 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.45 169.9 0.12 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.638 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 84.8 -29.45 4.14 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 67.82 -44.22 0.29 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' GLY . 10.5 mttp -64.38 3.01 0.51 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.432 -1.04 . . . . 0.0 109.036 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -47.28 111.34 0.4 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 111.088 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 56' ' ' LYS . 50.4 t -135.6 110.45 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 1.4 mp0 -94.34 170.42 9.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.976 -1.077 . . . . 0.0 109.738 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.81 147.83 45.45 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 109.49 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.5 112.12 16.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.421 -0.8 . . . . 0.0 110.681 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.76 -27.75 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.377 -0.827 . . . . 0.0 108.907 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.2 mmm -73.64 -4.16 32.57 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.418 -0.801 . . . . 0.0 109.793 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 p -102.72 -11.57 18.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.954 . . . . 0.0 109.159 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtm -75.44 154.22 85.83 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.914 -1.116 . . . . 0.0 109.45 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' THR . 91.0 Cg_exo -41.0 138.38 1.66 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.816 1.677 . . . . 0.0 110.835 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' PRO . 4.4 m -41.29 -59.95 1.4 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.338 -0.851 . . . . 0.0 110.282 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.28 -52.52 35.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.101 -0.999 . . . . 0.0 108.636 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.59 -48.51 81.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.437 -0.789 . . . . 0.0 109.058 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -53.3 56.46 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.46 -33.64 76.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.858 -1.152 . . . . 0.0 108.713 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.37 -45.45 87.68 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.08 -53.39 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.446 -0.784 . . . . 0.0 108.908 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' GLY . 96.6 mt -53.13 -37.66 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.99 67.13 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -62.33 -37.76 86.87 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 79' ' ' LEU . 79.3 mt -72.82 -36.52 67.55 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 80.49 37.53 20.24 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 77' ' ' LEU . 3.8 mp . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.653 -0.91 . . . . 0.0 108.722 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.313 0.577 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.3 t -160.31 175.43 12.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.3 -0.875 . . . . 0.0 109.65 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.545 HG22 ' N ' ' A' ' 16' ' ' TRP . 70.7 mt -139.53 164.5 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.545 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.7 m95 -148.91 154.79 39.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.667 -0.646 . . . . 0.0 109.432 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -148.89 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.39 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.3 m -79.38 148.26 70.05 Favored Pre-proline 0 C--N 1.302 -1.469 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -40.8 -50.45 3.99 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.847 1.698 . . . . 0.0 112.423 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -57.52 -27.23 62.4 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.468 -0.77 . . . . 0.0 111.528 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.35 -41.2 41.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.669 -1.269 . . . . 0.0 109.764 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.4 mt -73.86 -50.98 26.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.14 29.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 0.0 108.759 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -15.16 57.57 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.818 -0.551 . . . . 0.0 109.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 148.23 32.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.83 -1.169 . . . . 0.0 109.802 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.29 151.73 42.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.046 -1.033 . . . . 0.0 108.871 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.53 -24.78 4.12 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' PRO . 13.3 mmt -94.46 145.2 29.25 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.345 -1.091 . . . . 0.0 109.678 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' MET . 80.5 Cg_exo -43.3 174.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.108 1.872 . . . . 0.0 112.556 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.24 34.71 3.58 Favored Glycine 0 N--CA 1.499 2.868 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.4 t -146.7 144.54 29.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -1.041 . . . . 0.0 109.474 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.8 t -56.3 -51.2 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.046 -1.034 . . . . 0.0 108.367 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.22 -29.38 69.62 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.65 64.15 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.76 -47.19 89.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -61.09 -25.82 67.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.502 -0.749 . . . . 0.0 109.253 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.529 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 32.3 t80 -61.98 -76.23 0.06 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -50.61 -43.26 56.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.332 -0.855 . . . . 0.0 109.792 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.93 -31.31 62.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 111.074 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 1.9 p30 -76.81 -49.22 16.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.949 -1.094 . . . . 0.0 109.374 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.538 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.5 p -77.04 -32.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.025 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 1.049 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 16.5 mt-30 -85.6 -26.1 26.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.002 -1.061 . . . . 0.0 109.163 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.9 54.95 6.12 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.049 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 44.2 m0 -66.59 143.02 57.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.099 -1.236 . . . . 0.0 109.5 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -71.59 152.16 43.16 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -141.98 132.72 25.61 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.715 1.245 . . . . 0.0 112.748 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.92 136.04 38.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -72.34 125.19 26.76 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 121.273 -0.892 . . . . 0.0 110.924 -178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -97.62 141.73 30.3 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.5 mt-10 -130.13 -47.53 1.11 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.186 -0.946 . . . . 0.0 110.398 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -36.88 -27.29 0.01 OUTLIER Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 22.7 t -89.89 144.96 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.139 -1.212 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 55' ' ' GLY . 50.1 mttt -49.77 -179.5 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.342 -0.849 . . . . 0.0 109.734 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.33 -36.87 0.12 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.56 -34.36 0.27 Allowed Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.956 -1.32 . . . . 0.0 109.94 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.4 mtpp -56.22 -8.23 0.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.017 -1.284 . . . . 0.0 108.365 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.84 135.68 57.85 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.54 0.686 . . . . 0.0 110.595 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 58' ' ' VAL . 29.4 m -143.33 133.94 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -89.63 167.76 12.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.074 -1.016 . . . . 0.0 108.606 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -122.04 148.37 44.92 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -81.69 114.97 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.0 111.38 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.8 -26.11 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmm -70.6 0.36 7.02 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.302 -0.874 . . . . 0.0 108.681 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.4 p -105.35 -12.6 15.97 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.64 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.7 152.93 96.44 Favored Pre-proline 0 N--CA 1.484 1.257 0 O-C-N 121.259 -0.901 . . . . 0.0 109.614 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 74.6 Cg_exo -40.89 136.31 2.07 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.693 1.595 . . . . 0.0 110.908 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 60.4 m -42.42 -56.89 2.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.187 -0.946 . . . . 0.0 110.107 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -52.34 -46.08 65.93 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 108.986 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -62.48 -34.39 76.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.352 -0.843 . . . . 0.0 110.834 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -53.03 -55.44 23.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.906 -1.121 . . . . 0.0 109.508 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.12 -34.56 75.17 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.14 -50.49 65.81 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.649 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.52 -51.29 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.671 -0.643 . . . . 0.0 109.339 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' GLY . 61.4 mt -53.82 -31.14 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 108.25 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.37 -39.38 39.43 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.865 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -62.52 -39.47 93.65 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -72.74 -37.28 67.77 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 78.34 40.09 20.61 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.495 1.805 0 O-C-N 121.55 -0.971 . . . . 0.0 109.155 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -160.21 173.08 16.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.517 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 16' ' ' TRP . 75.7 mt -142.32 162.32 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.536 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.4 m95 -145.92 152.74 39.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.403 0.62 . . . . 0.0 109.67 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.9 m -148.8 153.62 38.38 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.302 -0.874 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.46 160.15 70.7 Favored Pre-proline 0 C--N 1.303 -1.431 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.32 -31.24 84.05 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.019 1.813 . . . . 0.0 110.761 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.21 -38.56 89.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.646 -0.659 . . . . 0.0 110.05 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 mp0 -76.38 -37.44 57.17 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.037 -1.039 . . . . 0.0 109.035 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' ALA . 66.5 mt -74.0 -55.65 11.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 110.048 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -27.83 7.12 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 108.542 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -16.86 52.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.7 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.2 153.0 30.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.015 -1.053 . . . . 0.0 109.194 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 28' ' ' MET . 73.3 m-20 -66.04 158.03 29.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.854 -1.154 . . . . 0.0 109.446 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.9 -24.67 2.32 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.471 ' H ' ' C ' ' A' ' 26' ' ' ASP . 22.9 mmt -95.03 134.17 25.15 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.634 -0.921 . . . . 0.0 109.996 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.1 Cg_exo -44.13 176.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.655 1.57 . . . . 0.0 112.095 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.17 36.78 3.49 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 108.701 -1.76 . . . . 0.0 108.701 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -143.61 131.5 21.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.517 -0.99 . . . . 0.0 108.939 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 32' ' ' VAL . 14.5 t -51.61 -37.64 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.959 . . . . 0.0 109.245 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.09 64.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.174 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.89 -39.95 41.19 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.936 -1.665 . . . . 0.0 108.936 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.57 -55.87 19.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.314 -1.109 . . . . 0.0 108.566 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.5 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 91.2 m-70 -52.57 -26.76 14.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.438 -0.789 . . . . 0.0 109.529 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.527 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.2 t80 -60.08 -76.53 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -57.22 -30.4 64.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.143 -0.973 . . . . 0.0 110.233 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.92 71.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.998 -1.063 . . . . 0.0 110.577 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.0 p30 -73.74 -40.75 63.29 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.212 -0.93 . . . . 0.0 109.797 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.95 -36.52 77.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.368 -0.832 . . . . 0.0 109.704 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.25 -39.67 17.49 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.301 -0.874 . . . . 0.0 109.691 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.73 50.75 1.62 Allowed Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.234 -1.547 . . . . 0.0 109.234 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -67.97 142.69 55.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -1.075 . . . . 0.0 109.993 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 m -72.48 148.73 44.81 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' H ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -141.96 136.31 30.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.72 -1.237 . . . . 0.0 112.941 -178.092 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 9.1 tpp180 -90.14 105.99 18.18 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -68.74 113.73 6.46 Favored 'General case' 0 C--N 1.291 -1.967 0 O-C-N 121.358 -0.839 . . . . 0.0 109.943 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' CD ' ' OE1' ' A' ' 59' ' ' GLU . 18.7 mtpp -87.66 150.77 23.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.255 -0.903 . . . . 0.0 109.293 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.6 mt-10 -131.33 -54.05 1.03 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 110.319 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.42 -8.5 0.04 OUTLIER Glycine 0 N--CA 1.495 2.624 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.6 t -88.1 149.97 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.931 -1.334 . . . . 0.0 109.99 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -52.78 142.08 19.77 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 56.79 69.23 1.34 Allowed Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.641 -2.184 . . . . 0.0 107.641 -178.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . -42.76 -10.53 0.01 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 54' ' ' GLY . 18.3 mttp -52.91 -10.64 0.18 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.71 -1.465 . . . . 0.0 108.238 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.29 131.19 50.01 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.689 0.757 . . . . 0.0 111.12 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 58' ' ' VAL . 6.4 m -143.05 128.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -92.22 164.98 13.35 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.347 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.78 146.67 41.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.53 -0.731 . . . . 0.0 109.625 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.44 112.75 15.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.57 -0.706 . . . . 0.0 110.509 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -25.81 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.361 -0.837 . . . . 0.0 108.749 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.9 mmt -72.58 -4.64 31.97 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.353 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.5 p -104.37 -13.71 16.01 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -71.75 156.59 90.98 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.49 142.61 0.64 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.201 1.934 . . . . 0.0 111.842 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 m -45.73 -59.79 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.146 -0.972 . . . . 0.0 109.928 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -50.43 -44.7 55.39 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.226 -0.921 . . . . 0.0 109.227 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.385 -0.822 . . . . 0.0 110.236 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -54.26 -61.14 2.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.869 -1.144 . . . . 0.0 109.777 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.84 -31.42 70.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 108.867 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -65.15 -52.13 57.02 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.167 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.69 -49.9 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' A' ' 79' ' ' LEU . 73.2 mt -53.61 -37.06 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.62 66.49 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -65.07 -35.56 81.53 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.24 -40.74 74.29 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 79' ' ' LEU . . . 104.02 23.89 7.92 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.498 1.927 0 O-C-N 121.109 -1.23 . . . . 0.0 108.709 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 pttt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.521 ' C ' HD12 ' A' ' 15' ' ' ILE . 28.3 t -159.16 174.74 14.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.982 -1.074 . . . . 0.0 109.67 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.0 mp -143.3 160.59 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.823 0.82 . . . . 0.0 109.297 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.576 ' N ' HG22 ' A' ' 15' ' ' ILE . 16.8 m95 -142.72 155.55 44.89 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.0 m -150.89 158.03 43.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.183 -0.948 . . . . 0.0 110.987 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 146.71 56.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -40.78 -39.35 3.09 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.046 1.831 . . . . 0.0 113.132 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -56.32 -37.76 70.37 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.293 -0.88 . . . . 0.0 111.024 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.46 -35.58 63.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.752 -1.218 . . . . 0.0 108.945 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.59 -50.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.664 -0.647 . . . . 0.0 110.384 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -53.17 -28.07 24.55 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.13 -0.981 . . . . 0.0 109.057 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.66 -14.04 57.15 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.59 150.33 31.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.938 -1.101 . . . . 0.0 109.913 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.9 m-20 -65.92 157.87 29.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.906 -1.121 . . . . 0.0 108.785 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.52 -25.94 1.65 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.5 ' H ' ' C ' ' A' ' 26' ' ' ASP . 23.4 mmt -95.34 137.92 22.0 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.592 -0.946 . . . . 0.0 109.449 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' MET . 91.8 Cg_exo -40.48 168.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 122.051 1.834 . . . . 0.0 112.495 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.51 29.54 7.82 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.11 139.59 28.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.681 -0.893 . . . . 0.0 108.687 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.0 t -55.08 -46.22 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.9 . . . . 0.0 109.894 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.69 84.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 0.0 109.609 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.1 -36.0 20.33 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.02 -58.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.175 -1.191 . . . . 0.0 108.826 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.502 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 90.2 m-70 -50.53 -21.5 1.54 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 12.2 t80 -63.02 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.45 -0.781 . . . . 0.0 109.054 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 29' ' ' PRO . 8.5 ptm180 -57.34 -28.5 63.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.133 -0.979 . . . . 0.0 110.138 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.3 72.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.927 -1.108 . . . . 0.0 110.583 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.7 p30 -73.41 -39.89 64.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.667 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.01 -37.53 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.825 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -86.04 -29.06 23.73 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.185 -0.947 . . . . 0.0 109.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.34 54.89 2.86 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.488 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 40.1 m0 -66.91 143.01 57.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -1.168 . . . . 0.0 109.399 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.8 m -73.16 117.06 14.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -104.99 137.93 41.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.211 1.005 . . . . 0.0 112.515 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -111.52 138.73 47.66 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -72.27 132.42 44.03 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.259 -0.9 . . . . 0.0 110.362 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -109.71 150.26 28.55 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.5 mt-10 -130.49 -43.35 1.14 Allowed 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.177 -0.952 . . . . 0.0 110.896 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.51 -35.92 0.02 OUTLIER Glycine 0 N--CA 1.502 3.055 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' GLU . 48.7 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.191 -1.182 . . . . 0.0 110.156 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.9 mttm -53.75 -166.27 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.834 0.826 . . . . 0.0 110.287 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.09 -29.28 0.19 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 66.99 -34.09 0.19 Allowed Glycine 0 N--CA 1.492 2.379 0 O-C-N 120.8 -1.412 . . . . 0.0 110.052 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.3 mtpp -62.04 -8.58 5.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.033 -1.275 . . . . 0.0 109.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.76 129.67 23.4 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 0.0 110.485 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.8 p -144.78 127.97 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.66 165.39 12.34 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.926 -1.109 . . . . 0.0 109.985 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -118.52 146.84 44.23 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -77.15 119.2 20.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.284 -0.885 . . . . 0.0 111.069 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.56 -28.88 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.548 ' SD ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -74.62 -6.23 47.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.8 -0.563 . . . . 0.0 110.095 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.8 p -100.52 -6.54 25.29 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.488 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.8 mmt -72.44 150.24 91.49 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.661 -0.65 . . . . 0.0 109.872 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 143.31 0.77 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.524 1.482 . . . . 0.0 110.876 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -44.75 -60.57 1.96 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.057 -1.027 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -52.04 -43.69 63.89 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.312 -0.867 . . . . 0.0 109.44 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.71 -36.67 79.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.269 -0.894 . . . . 0.0 110.002 -179.247 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -52.62 -62.24 1.77 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.936 -1.102 . . . . 0.0 109.748 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -57.98 -32.95 68.38 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.22 -52.45 47.79 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.647 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.87 -48.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.738 -0.601 . . . . 0.0 109.952 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.0 -35.99 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.963 -1.085 . . . . 0.0 108.406 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.56 -40.63 49.18 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.18 -38.88 90.77 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -72.6 -46.37 54.51 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.81 37.72 4.1 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.032 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 79' ' ' LEU . 4.2 mm? . . . . . 0 N--CA 1.508 2.444 0 O-C-N 120.584 -1.539 . . . . 0.0 108.409 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 17.2 t -160.85 -178.84 7.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.0 mp -140.61 160.35 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 0.0 109.365 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.582 ' N ' HG22 ' A' ' 15' ' ' ILE . 22.9 m95 -143.22 151.2 40.33 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.9 m -152.51 156.51 39.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.317 -0.864 . . . . 0.0 111.111 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.18 163.65 56.34 Favored Pre-proline 0 C--N 1.303 -1.444 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.42 -31.3 94.57 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 121.999 1.799 . . . . 0.0 111.402 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.72 -38.61 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 109.901 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -77.3 -38.0 51.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.038 -1.039 . . . . 0.0 108.827 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.41 -56.14 9.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.605 -0.684 . . . . 0.0 109.557 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.451 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -52.13 -24.22 6.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.33 -13.47 59.62 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.811 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.52 162.76 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 109.693 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 28' ' ' MET . 62.1 m-20 -63.94 -80.62 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.303 -0.873 . . . . 0.0 112.255 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.72 -6.42 0.04 OUTLIER Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' ASP . 14.2 mmt -97.11 153.04 38.62 Favored Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.258 . . . . 0.0 110.187 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' MET . 22.3 Cg_endo -61.69 173.25 2.99 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.187 1.925 . . . . 0.0 111.57 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.75 36.13 3.89 Favored Glycine 0 N--CA 1.499 2.899 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -144.21 129.65 18.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.486 -1.008 . . . . 0.0 108.724 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 t -51.77 -31.78 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.135 -0.978 . . . . 0.0 109.17 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -40.31 41.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.248 -0.907 . . . . 0.0 109.159 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.27 -44.67 52.33 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.24 -55.43 24.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.149 -1.206 . . . . 0.0 108.352 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.418 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 76.5 m-70 -49.99 -25.08 2.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.345 -0.847 . . . . 0.0 109.301 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 13.8 t80 -61.65 -77.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 0.0 109.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -58.4 -27.83 64.63 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.237 -0.914 . . . . 0.0 109.673 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.11 -54.03 35.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.801 -1.187 . . . . 0.0 110.115 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.8 p30 -75.4 -38.54 59.85 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 110.213 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -71.58 -36.32 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.244 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -82.92 -26.04 31.85 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.907 -1.121 . . . . 0.0 110.0 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.92 51.74 3.5 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -68.23 144.11 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.377 -1.072 . . . . 0.0 109.716 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -75.05 127.03 32.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 9.7 mtpm? -104.26 152.93 21.62 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 122.919 1.342 . . . . 0.0 112.573 -177.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -139.5 123.44 17.69 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -71.17 138.69 49.79 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.358 -176.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -112.05 153.16 27.29 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' VAL . 37.7 mm-40 -130.64 -44.06 1.1 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -34.23 -29.07 0.01 OUTLIER Glycine 0 N--CA 1.5 2.905 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 50' ' ' GLU . 88.4 t -88.94 124.41 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.1 -1.235 . . . . 0.0 109.81 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 121.75 11.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.381 -0.824 . . . . 0.0 108.941 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 152.65 -28.7 0.84 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.51 -33.68 0.57 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.9 mtpp -80.15 1.66 27.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.138 -1.213 . . . . 0.0 109.749 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.75 122.3 18.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.226 -0.921 . . . . 0.0 111.185 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.41 136.81 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.452 -0.78 . . . . 0.0 108.937 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -98.78 172.56 7.37 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.086 -1.009 . . . . 0.0 109.681 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -127.06 151.47 48.58 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' SD ' ' A' ' 65' ' ' MET . 51.9 t0 -77.51 114.44 16.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.159 -0.963 . . . . 0.0 111.279 -178.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.5 t -63.26 -27.01 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.054 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mmt -70.6 -2.1 13.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 0.0 109.009 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 82.4 p -104.96 -11.63 16.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.643 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.33 147.43 98.22 Favored Pre-proline 0 C--N 1.307 -1.243 0 O-C-N 121.433 -0.792 . . . . 0.0 109.376 -179.583 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' THR . 89.0 Cg_exo -42.66 141.58 2.35 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.583 1.522 . . . . 0.0 111.178 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PRO . 94.1 m -40.07 -62.97 0.66 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.478 -0.764 . . . . 0.0 110.472 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -51.18 -46.99 62.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 109.494 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -59.28 -36.74 76.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 0.0 110.299 -178.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -53.93 -46.83 71.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.799 -1.188 . . . . 0.0 109.18 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -59.77 -37.34 78.78 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -64.04 -47.63 79.43 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.199 -1.0 . . . . 0.0 108.429 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.65 -52.04 31.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.4 mt -55.46 -39.32 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.177 -0.952 . . . . 0.0 108.911 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.75 -41.59 59.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.113 -0.992 . . . . 0.0 108.53 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.5 -36.43 80.48 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.61 29.93 5.74 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 N--CA 1.503 2.179 0 O-C-N 120.784 -1.421 . . . . 0.0 108.609 178.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.443 ' C ' HD12 ' A' ' 15' ' ' ILE . 28.0 t -159.69 177.26 11.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.088 -1.008 . . . . 0.0 109.794 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.57 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.2 mp -142.14 159.42 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.932 0.872 . . . . 0.0 109.162 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.57 ' N ' HG22 ' A' ' 15' ' ' ILE . 9.4 m95 -141.07 155.19 46.18 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.423 0.63 . . . . 0.0 109.725 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 17.3 m -150.23 156.63 41.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 110.566 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.34 165.3 51.12 Favored Pre-proline 0 C--N 1.303 -1.414 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.51 -32.93 94.21 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 121.968 1.778 . . . . 0.0 111.436 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.65 -37.21 78.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 110.394 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -78.11 -37.82 45.39 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.974 -1.079 . . . . 0.0 109.271 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.38 -52.78 20.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.573 -0.705 . . . . 0.0 109.527 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -27.02 17.65 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.99 0.9 . . . . 0.0 108.748 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.49 -14.27 58.4 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.827 -0.546 . . . . 0.0 110.206 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.94 154.26 31.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.03 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 28' ' ' MET . 6.4 m-20 -67.95 151.81 46.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.11 -23.01 2.27 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' ASP . 9.0 mmt -92.16 138.76 24.29 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.35 -1.088 . . . . 0.0 109.258 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.7 Cg_exo -41.41 169.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.055 1.837 . . . . 0.0 112.322 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.16 36.31 3.47 Favored Glycine 0 N--CA 1.5 2.935 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.7 m -146.21 134.11 21.33 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -1.065 . . . . 0.0 109.356 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.54 -43.07 52.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 108.959 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.73 -28.68 62.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.215 -0.928 . . . . 0.0 108.703 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.16 92.33 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.89 -57.07 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -1.104 . . . . 0.0 108.849 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.549 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 66.2 m-70 -47.27 -32.62 4.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.02 -74.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.331 -0.855 . . . . 0.0 108.973 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -51.69 -31.53 26.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 109.613 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -57.27 13.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.243 -0.91 . . . . 0.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.09 -38.34 66.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.993 . . . . 0.0 109.678 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.83 -45.47 91.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.479 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -86.37 -34.27 20.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.306 -0.871 . . . . 0.0 109.893 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.92 55.61 1.6 Allowed Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -67.31 145.43 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -1.136 . . . . 0.0 109.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.4 m -74.91 119.5 19.18 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -105.8 137.32 43.88 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.196 0.998 . . . . 0.0 112.456 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 14.0 ttp180 -117.95 108.34 15.16 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -68.06 129.95 41.47 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -177.217 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -75.95 171.92 13.61 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -131.74 -58.34 0.97 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.125 -0.984 . . . . 0.0 111.142 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -3.62 1.51 Allowed Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.311 -0.868 . . . . 0.0 112.153 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.9 t -90.67 137.06 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.478 -1.601 . . . . 0.0 110.504 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 55' ' ' GLY . 39.0 mttp -51.8 173.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.764 0.792 . . . . 0.0 110.258 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.07 -30.62 0.11 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 67.63 -13.22 0.64 Allowed Glycine 0 N--CA 1.492 2.385 0 O-C-N 120.856 -1.379 . . . . 0.0 109.857 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.3 mtpp -75.95 -18.96 59.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.259 . . . . 0.0 109.141 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 120.55 7.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.758 . . . . 0.0 111.166 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p -141.45 141.03 30.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 108.842 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -100.16 168.07 10.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.355 -0.84 . . . . 0.0 109.019 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.77 150.31 41.19 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.405 ' O ' ' OG ' ' A' ' 64' ' ' SER . 54.8 t0 -74.07 113.64 11.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 0.0 110.973 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.93 -25.55 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.531 ' SD ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -70.5 -5.48 29.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 79.6 p -102.96 -8.32 20.75 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.641 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -70.03 139.55 87.89 Favored Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 121.144 -0.973 . . . . 0.0 109.261 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' THR . 62.2 Cg_exo -39.58 143.16 0.39 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.7 1.6 . . . . 0.0 111.336 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.4 m -41.91 -65.61 0.43 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -49.11 -45.58 43.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.321 -0.862 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.73 -34.11 75.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 110.687 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -55.22 -42.81 73.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.758 -1.214 . . . . 0.0 108.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -61.58 -40.11 93.61 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -64.81 -45.66 85.26 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.411 -0.916 . . . . 0.0 108.632 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.59 -51.82 38.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 78' ' ' GLY . 36.8 mt -56.14 -45.6 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 109.023 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.29 73.6 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.694 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.55 -37.76 88.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 77' ' ' LEU . 20.9 mt -73.2 -38.86 65.97 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.91 36.82 7.06 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.497 1.892 0 O-C-N 121.213 -1.169 . . . . 0.0 108.804 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -159.12 172.84 17.37 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.302 -0.874 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.525 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 69.7 mt -143.11 160.5 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 16.1 m95 -145.91 159.38 43.31 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -149.29 158.34 44.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.005 -1.059 . . . . 0.0 111.006 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.14 150.54 68.41 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.33 -50.11 4.62 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.982 1.788 . . . . 0.0 112.651 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -56.39 -32.52 64.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.453 -0.779 . . . . 0.0 111.434 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -74.92 -35.35 62.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.563 -1.336 . . . . 0.0 108.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.03 -54.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.428 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -50.14 -26.11 4.22 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.238 -179.493 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.49 -10.63 59.44 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.746 -0.596 . . . . 0.0 110.302 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.47 157.28 22.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.663 -1.273 . . . . 0.0 109.458 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 2.2 m-20 -70.13 165.12 22.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.969 -1.082 . . . . 0.0 108.86 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.89 -15.85 2.16 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.489 ' N ' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -89.92 151.3 45.13 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 120.97 -1.312 . . . . 0.0 109.872 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -36.19 -67.82 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.035 2.49 . . . . 0.0 112.823 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.69 14.25 4.83 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.6 m -146.71 147.74 31.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.516 -0.991 . . . . 0.0 109.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -55.3 -56.24 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.083 -1.011 . . . . 0.0 109.206 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.09 74.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.918 -1.114 . . . . 0.0 108.814 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.28 -38.33 77.68 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.27 -50.02 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.923 -1.339 . . . . 0.0 108.81 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.452 ' ND1' ' OH ' ' A' ' 60' ' ' TYR . 74.1 m-70 -59.9 -23.07 63.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.224 -0.922 . . . . 0.0 109.56 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -60.93 -75.21 0.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 108.909 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.66 -35.88 63.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.305 -0.872 . . . . 0.0 109.902 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.56 39.07 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.087 -1.008 . . . . 0.0 110.628 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.6 p30 -75.08 -44.81 45.39 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.186 -0.947 . . . . 0.0 110.076 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.5 -42.74 92.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.616 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 67.8 mt-30 -85.26 -35.5 21.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.263 -0.898 . . . . 0.0 109.547 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.61 51.53 2.49 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.406 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 41.2 m0 -66.85 147.43 53.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -1.16 . . . . 0.0 109.508 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 m -73.73 118.21 16.42 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -100.52 136.75 39.91 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.326 1.06 . . . . 0.0 112.966 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 8.6 ttm-85 -102.77 139.09 38.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -77.3 119.9 21.59 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 121.154 -0.966 . . . . 0.0 109.914 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -95.47 145.18 25.36 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 52' ' ' VAL . 16.8 mt-10 -130.7 -50.33 1.06 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.378 -0.826 . . . . 0.0 109.667 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -39.37 -25.52 0.05 OUTLIER Glycine 0 N--CA 1.498 2.801 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' GLU . 9.9 t -88.41 128.9 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.153 -1.204 . . . . 0.0 109.07 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -54.53 145.58 18.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.483 -0.761 . . . . 0.0 109.28 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 115.34 -34.37 4.84 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.71 -37.5 0.37 Allowed Glycine 0 N--CA 1.493 2.443 0 O-C-N 121.207 -1.172 . . . . 0.0 110.297 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.8 mtpp -66.33 -11.22 49.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.25 . . . . 0.0 109.006 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.74 135.75 57.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.521 -0.737 . . . . 0.0 111.156 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 m -142.09 137.34 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.47 171.2 8.71 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.062 -1.024 . . . . 0.0 109.071 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.452 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 91.6 m-85 -127.14 147.86 50.17 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.424 -0.798 . . . . 0.0 109.407 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -77.44 114.32 16.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.793 . . . . 0.0 110.377 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.76 -28.95 44.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.321 -0.862 . . . . 0.0 108.782 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmt -72.77 0.32 11.2 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 109.599 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.8 p -108.2 -12.04 15.15 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.369 -0.832 . . . . 0.0 109.312 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtt -74.0 147.76 86.29 Favored Pre-proline 0 N--CA 1.484 1.233 0 O-C-N 120.88 -1.138 . . . . 0.0 108.743 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 72.7 Cg_exo -41.53 139.06 2.09 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.415 1.41 . . . . 0.0 110.398 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 22.4 m -44.09 -54.7 5.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.207 -0.933 . . . . 0.0 109.86 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.66 -47.06 70.73 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.091 -1.005 . . . . 0.0 108.776 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -64.96 -53.27 49.0 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.854 . . . . 0.0 110.996 -179.051 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -56.88 -26.35 58.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.978 -1.077 . . . . 0.0 109.719 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -65.87 -37.8 87.12 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -62.31 -41.04 98.2 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 t -70.71 -57.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.84 -36.56 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -0.931 . . . . 0.0 108.623 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.85 -42.85 26.47 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.431 -0.908 . . . . 0.0 108.727 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.53 -38.25 90.42 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 106.943 -1.502 . . . . 0.0 106.943 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 77' ' ' LEU . 18.7 mt -71.06 -38.48 72.5 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.01 40.85 7.36 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 N--CA 1.498 1.951 0 O-C-N 121.219 -1.166 . . . . 0.0 109.229 179.808 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 pttm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.4 t -159.15 173.04 17.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 64.4 mt -141.59 164.66 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 21.1 m95 -148.17 153.58 38.99 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.621 -0.674 . . . . 0.0 109.718 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 m -149.65 153.47 37.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 0.0 110.648 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 p -81.5 150.99 68.06 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -41.82 -46.89 6.55 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.137 1.891 . . . . 0.0 112.865 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.411 ' OE1' ' CE ' ' A' ' 23' ' ' MET . 8.8 mm100 -54.8 -33.17 61.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.81 -36.62 56.81 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ALA . 69.5 mt -74.88 -59.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.411 ' CE ' ' OE1' ' A' ' 20' ' ' GLN . 2.1 ptt? -52.24 -24.27 7.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.582 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -16.65 54.15 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.421 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.38 150.93 31.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.05 -1.031 . . . . 0.0 109.761 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.48 152.0 46.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.062 -1.024 . . . . 0.0 108.867 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -23.21 4.09 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' PRO . 10.5 mmt -92.61 143.35 27.01 Favored Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.229 -1.16 . . . . 0.0 109.67 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' MET . 86.8 Cg_exo -40.94 170.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.189 1.926 . . . . 0.0 112.653 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.66 7.07 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.49 138.87 26.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.454 -1.027 . . . . 0.0 109.02 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 t -54.84 -46.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.427 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.29 79.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.801 -1.187 . . . . 0.0 108.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.39 -32.65 64.43 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.5 -51.9 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.412 -1.052 . . . . 0.0 108.645 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 89.7 m-70 -64.76 -21.97 66.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.389 -0.819 . . . . 0.0 109.728 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 37.3 t80 -62.57 -76.66 0.06 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.464 HH11 ' CG ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -55.7 -28.83 57.76 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.228 -0.92 . . . . 0.0 109.958 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.15 -49.07 72.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 110.369 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 11.5 p30 -73.14 -43.94 60.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.099 -1.001 . . . . 0.0 109.508 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 43.7 t -57.74 -43.59 84.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.566 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.461 ' OE1' ' NH1' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -87.0 -43.2 12.52 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.346 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 99.13 57.23 0.97 Allowed Glycine 0 N--CA 1.498 2.81 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -68.24 142.42 55.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.237 -1.155 . . . . 0.0 110.321 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.3 m -73.57 142.54 46.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -134.8 133.83 40.23 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.649 1.214 . . . . 0.0 111.773 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.99 137.9 39.66 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 8.3 tmtt? -72.34 123.38 22.9 Favored 'General case' 0 C--N 1.29 -2.002 0 O-C-N 121.379 -0.826 . . . . 0.0 110.121 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -103.76 153.15 21.02 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 22.5 mt-10 -131.27 -42.72 1.06 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.315 -0.865 . . . . 0.0 110.619 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.96 -35.26 0.01 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 28.6 t -91.3 143.98 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.154 -1.203 . . . . 0.0 109.929 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 1.9 mtpm? -51.53 -171.04 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.722 0.772 . . . . 0.0 110.009 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.26 -46.4 1.02 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 83.94 -34.11 3.03 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HB2' ' HZ3' ' A' ' 56' ' ' LYS . 19.8 mtmm -65.93 4.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.409 -1.054 . . . . 0.0 108.821 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -68.2 123.61 21.16 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.438 -0.789 . . . . 0.0 111.0 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.47 133.18 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.25 166.83 11.71 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.186 -0.946 . . . . 0.0 109.827 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -116.47 149.21 39.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -79.67 110.69 15.24 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.323 -0.861 . . . . 0.0 110.778 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.51 -25.55 38.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.4 mmm -72.83 1.61 8.28 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.611 -0.836 . . . . 0.0 108.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.7 p -111.11 -11.78 14.23 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 mtt -73.69 156.7 88.27 Favored Pre-proline 0 N--CA 1.485 1.303 0 O-C-N 121.172 -0.955 . . . . 0.0 109.187 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -39.45 136.32 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.263 1.976 . . . . 0.0 111.821 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.2 m -43.41 -57.88 2.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.286 -0.884 . . . . 0.0 110.077 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -49.91 -49.55 49.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.061 -1.024 . . . . 0.0 109.233 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.72 -28.56 69.97 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 0.0 111.116 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -57.55 -61.03 2.79 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.63 -1.294 . . . . 0.0 109.926 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 4.3 pt-20 -59.95 -33.31 71.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 108.565 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.23 -51.35 61.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.951 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.46 -51.5 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 78' ' ' GLY . 68.8 mt -54.81 -38.52 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.88 74.88 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.671 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -63.06 -36.34 83.26 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' A' ' 79' ' ' LEU . 85.4 mt -72.49 -39.78 67.41 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.65 33.01 9.51 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.844 -1.702 . . . . 0.0 108.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 77' ' ' LEU . 5.0 mp . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.513 -0.992 . . . . 0.0 108.864 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.5 t -161.62 179.08 8.46 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.33 -0.856 . . . . 0.0 109.5 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 64.8 mt -142.63 163.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 21.4 m95 -146.47 155.4 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -149.64 156.67 42.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.164 -0.96 . . . . 0.0 110.674 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -79.97 145.17 60.79 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -40.24 -42.57 3.63 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.937 1.758 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -56.86 -33.03 66.4 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.497 -0.752 . . . . 0.0 111.47 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.94 -36.79 59.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.62 -1.3 . . . . 0.0 109.368 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.2 mt -75.13 -54.52 13.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.417 -0.802 . . . . 0.0 110.565 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' PRO . 1.1 ptt? -52.39 -24.83 8.4 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.27 -14.38 57.47 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.737 -0.602 . . . . 0.0 109.679 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.75 153.0 31.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.56 149.59 48.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.445 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.74 -19.74 7.08 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.5 mmt -96.78 145.13 29.06 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.208 -1.172 . . . . 0.0 110.543 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' MET . 87.7 Cg_exo -44.95 175.14 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.908 1.738 . . . . 0.0 112.365 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.6 31.49 5.0 Favored Glycine 0 N--CA 1.499 2.855 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 p -148.37 143.42 26.83 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.358 -1.083 . . . . 0.0 109.178 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.84 -53.75 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.018 -1.051 . . . . 0.0 109.491 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.72 -35.16 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.777 -1.202 . . . . 0.0 108.867 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.38 64.41 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.12 -46.86 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.057 -1.261 . . . . 0.0 108.762 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.501 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 74.6 m-70 -61.38 -23.54 65.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.315 -0.866 . . . . 0.0 108.97 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 26.3 t80 -58.97 -73.86 0.08 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' HB3' HE21 ' A' ' 42' ' ' GLN . 36.6 mtp180 -56.19 -41.73 76.02 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.258 -0.901 . . . . 0.0 110.271 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.04 -47.76 64.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 0.0 111.133 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.9 p30 -73.81 -43.22 59.47 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.937 -1.102 . . . . 0.0 109.47 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.2 t -64.84 -39.89 87.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.756 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.57 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 32.7 mt-30 -88.22 -36.35 16.82 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 0.0 110.102 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.28 53.48 2.48 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.57 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 39.3 m0 -68.05 149.27 49.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -1.12 . . . . 0.0 110.472 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.4 m -74.37 152.32 39.58 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -143.89 132.92 22.83 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.638 -1.289 . . . . 0.0 113.015 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -98.3 124.94 43.19 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 126.73 31.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.309 -0.869 . . . . 0.0 111.633 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -86.49 159.39 19.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.395 -0.815 . . . . 0.0 108.919 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.2 mt-10 -131.86 -59.33 0.95 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.219 -0.926 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -44.68 -14.76 0.04 OUTLIER Glycine 0 N--CA 1.495 2.621 0 O-C-N 121.465 -0.772 . . . . 0.0 111.447 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.2 t -88.95 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.763 -1.433 . . . . 0.0 110.29 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' A' ' 55' ' ' GLY . 35.5 mttt -48.97 173.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.349 -0.844 . . . . 0.0 109.189 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.68 -38.11 0.13 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 71.52 -16.24 1.38 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.598 ' O ' HG13 ' A' ' 58' ' ' VAL . 20.2 mtpp -74.32 -17.76 60.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -1.112 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.69 133.23 17.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 110.812 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 56' ' ' LYS . 26.5 m -141.04 135.33 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.516 -0.74 . . . . 0.0 109.084 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.6 171.45 9.01 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.072 -1.018 . . . . 0.0 108.932 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -125.38 147.62 49.09 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -76.98 111.62 12.73 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.862 . . . . 0.0 110.864 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.25 -27.45 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -5.33 36.18 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.0 p -105.97 -9.91 16.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.404 -0.81 . . . . 0.0 109.278 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.5 mtt -73.26 156.98 88.81 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.077 . . . . 0.0 109.801 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' THR . 88.4 Cg_exo -42.39 139.61 2.84 Favored 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.965 1.777 . . . . 0.0 111.071 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' PRO . 11.0 m -44.31 -54.91 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.284 -0.885 . . . . 0.0 109.656 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -54.15 -49.82 68.37 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.289 -0.882 . . . . 0.0 109.198 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -56.06 -40.67 73.91 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.305 -0.872 . . . . 0.0 109.906 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -52.22 -43.85 64.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.966 -1.084 . . . . 0.0 108.978 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.06 -38.65 89.6 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.51 -45.98 84.91 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.398 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -71.79 -52.58 24.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' GLY . 57.1 mt -53.03 -35.92 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.39 -0.819 . . . . 0.0 109.089 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.03 -39.64 20.98 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.358 -0.839 . . . . 0.0 108.918 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -60.52 -39.96 89.7 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.8 mt -73.4 -38.22 65.69 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 68.43 44.89 71.39 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.506 2.351 0 O-C-N 121.478 -1.013 . . . . 0.0 110.234 -179.671 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 27.4 t -161.49 -178.82 6.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.331 -0.856 . . . . 0.0 109.428 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 16' ' ' TRP . 62.8 mt -140.45 163.67 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.54 ' N ' HG22 ' A' ' 15' ' ' ILE . 33.0 m95 -146.88 159.5 43.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.793 -0.567 . . . . 0.0 109.525 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.2 m -150.12 156.94 42.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.165 -0.96 . . . . 0.0 110.869 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 156.95 77.85 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.71 -44.89 44.3 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.938 1.759 . . . . 0.0 111.23 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.33 -26.74 65.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.451 -0.781 . . . . 0.0 110.587 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -78.32 -42.49 30.54 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.788 -1.195 . . . . 0.0 109.12 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -72.2 -52.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 109.952 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -52.6 -28.77 22.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.257 -0.902 . . . . 0.0 108.994 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.67 59.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.717 -0.615 . . . . 0.0 110.07 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 146.89 29.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.784 -1.198 . . . . 0.0 109.491 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.11 160.11 16.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.763 -1.21 . . . . 0.0 108.783 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.82 -20.67 6.2 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.2 mmt -91.25 149.3 39.5 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.118 -1.225 . . . . 0.0 109.888 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -33.61 -67.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.962 2.441 . . . . 0.0 113.021 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.57 14.29 4.88 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -146.9 144.46 29.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.325 -1.103 . . . . 0.0 109.306 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 32' ' ' VAL . 5.8 t -54.08 -45.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.035 -1.041 . . . . 0.0 108.749 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.43 -24.86 63.89 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.188 -0.945 . . . . 0.0 108.79 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.67 92.86 Favored Glycine 0 N--CA 1.487 2.046 0 N-CA-C 108.926 -1.669 . . . . 0.0 108.926 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.96 -53.67 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.909 -1.348 . . . . 0.0 108.917 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 85.4 m-70 -52.16 -27.9 16.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.134 -0.978 . . . . 0.0 109.251 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.9 t80 -61.31 -74.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 108.968 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -54.9 -38.23 67.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.37 -49.12 62.11 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.254 -0.904 . . . . 0.0 110.405 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -75.14 -46.49 33.96 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.015 -1.053 . . . . 0.0 109.568 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.428 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.8 t -62.17 -40.79 88.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.626 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -85.37 -40.99 15.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.155 -0.965 . . . . 0.0 109.339 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 89.16 53.51 2.49 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.95 154.33 41.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.19 -1.182 . . . . 0.0 109.237 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 m -71.94 158.52 35.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -139.22 130.72 27.13 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.639 1.209 . . . . 0.0 112.317 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.23 119.4 39.3 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -74.42 129.59 38.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.802 0.81 . . . . 0.0 111.919 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.95 161.45 15.17 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 52' ' ' VAL . 11.5 mt-10 -131.45 -60.2 0.95 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.071 -1.018 . . . . 0.0 110.76 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.04 -12.01 0.04 OUTLIER Glycine 0 N--CA 1.494 2.563 0 O-C-N 121.407 -0.808 . . . . 0.0 111.295 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.8 t -89.26 136.86 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.775 -1.427 . . . . 0.0 110.42 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 55' ' ' GLY . 33.8 mttp -51.33 -178.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 63.36 -34.62 0.08 OUTLIER Glycine 0 N--CA 1.488 2.154 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 73.93 -28.25 0.94 Allowed Glycine 0 N--CA 1.49 2.298 0 O-C-N 120.87 -1.371 . . . . 0.0 109.852 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 54' ' ' GLY . 13.7 mttm -64.86 -15.93 62.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -1.218 . . . . 0.0 109.07 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.13 116.92 2.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.542 -0.724 . . . . 0.0 111.842 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' VAL . 31.6 m -136.19 129.67 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -90.94 173.29 8.05 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.152 -0.968 . . . . 0.0 109.4 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -128.48 149.55 50.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.417 -0.802 . . . . 0.0 109.032 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' O ' ' OG ' ' A' ' 64' ' ' SER . 63.4 t0 -80.53 115.57 20.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.533 -0.73 . . . . 0.0 110.941 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.04 -26.58 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 108.82 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.6 mmt -70.36 0.27 6.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 60.6 p -107.59 -12.0 15.35 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.57 150.86 97.54 Favored Pre-proline 0 C--N 1.308 -1.221 0 O-C-N 121.311 -0.868 . . . . 0.0 109.222 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 86.6 Cg_exo -42.19 141.74 1.9 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.514 1.476 . . . . 0.0 110.616 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 16.9 m -44.06 -57.28 3.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.249 -0.907 . . . . 0.0 109.8 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -53.3 -46.44 69.37 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.326 -0.859 . . . . 0.0 109.369 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -61.24 -34.64 75.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.269 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -55.12 -56.86 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.901 -1.125 . . . . 0.0 109.689 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -60.24 -36.06 76.89 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -65.12 -49.01 71.59 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.307 -0.957 . . . . 0.0 108.583 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -71.29 -51.71 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.648 -0.658 . . . . 0.0 109.264 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' GLY . 33.2 mt -53.94 -31.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.058 -1.026 . . . . 0.0 108.295 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.81 45.4 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.74 -37.34 86.2 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.22 -38.37 63.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 82.58 37.4 14.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.457 -1.025 . . . . 0.0 109.423 -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -159.61 174.35 14.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.267 -0.895 . . . . 0.0 109.697 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.559 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.8 mt -140.51 163.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.559 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.2 m95 -147.03 157.37 43.59 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.715 -0.616 . . . . 0.0 109.599 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.3 m -148.78 157.4 43.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.923 . . . . 0.0 110.861 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -80.63 149.87 68.79 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -40.57 -54.15 2.44 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.973 1.782 . . . . 0.0 112.441 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -56.83 -27.25 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.604 -0.685 . . . . 0.0 111.591 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.46 -37.98 63.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.591 -1.318 . . . . 0.0 108.657 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.6 mt -75.34 -55.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.513 -0.742 . . . . 0.0 110.41 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.424 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -48.3 -27.55 2.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.055 -1.028 . . . . 0.0 109.537 -179.508 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -11.96 59.5 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.882 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.64 145.06 28.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.84 -1.163 . . . . 0.0 109.837 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.86 156.47 20.65 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.847 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.25 -16.59 33.06 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.74 149.72 38.38 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.172 -1.193 . . . . 0.0 109.931 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -35.95 -72.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.852 2.368 . . . . 0.0 113.395 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 10.89 2.58 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 t -144.01 147.37 33.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.225 -1.162 . . . . 0.0 108.941 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -56.67 -43.49 79.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.036 -1.04 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.51 77.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.042 -1.036 . . . . 0.0 108.65 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.29 58.82 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.911 -1.675 . . . . 0.0 108.911 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.24 -56.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.11 -1.23 . . . . 0.0 108.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.564 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 82.1 m-70 -52.84 -27.62 19.16 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.701 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.75 -75.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.215 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 13.4 mtp180 -53.18 -32.61 48.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.334 -0.854 . . . . 0.0 109.953 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -54.2 -54.23 42.73 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.235 -0.916 . . . . 0.0 110.78 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.84 -43.16 59.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.948 -1.095 . . . . 0.0 109.302 -179.44 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.3 t -57.46 -47.99 83.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.489 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -83.5 -34.14 25.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.368 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 87.62 55.05 2.38 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.04 148.47 51.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.098 -1.236 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.48 149.27 45.99 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.35 132.95 43.4 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.383 1.087 . . . . 0.0 112.117 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -107.44 139.31 42.13 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -73.22 132.57 43.33 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 121.301 -0.874 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 57' ' ' ALA . 50.7 tttt -117.52 147.53 42.69 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.5 mt-10 -131.65 -40.52 1.09 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.024 -1.047 . . . . 0.0 111.096 -178.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -28.93 -34.89 0.01 OUTLIER Glycine 0 N--CA 1.502 3.037 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.074 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.545 ' N ' ' O ' ' A' ' 50' ' ' GLU . 85.7 t -91.29 133.32 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.977 -1.308 . . . . 0.0 110.096 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.42 129.34 41.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.246 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.92 -36.03 1.16 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.04 -43.94 2.74 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -66.17 -5.34 9.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -1.081 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -58.44 113.19 1.86 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 111.394 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.3 m -137.8 136.53 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -94.1 172.12 8.42 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.089 -1.007 . . . . 0.0 109.807 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -127.84 151.27 49.26 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.446 -0.784 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' SD ' ' A' ' 65' ' ' MET . 39.1 t0 -82.01 116.39 21.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 111.472 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.4 -28.6 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 108.805 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mmm -70.85 1.7 5.18 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.5 p -108.89 -7.29 15.48 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.635 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -71.37 148.39 93.44 Favored Pre-proline 0 C--N 1.311 -1.081 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.8 Cg_exo -40.87 133.01 2.7 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 121.325 1.35 . . . . 0.0 110.417 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 51.8 m -37.6 -57.0 0.99 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.527 -0.733 . . . . 0.0 110.462 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -53.15 -49.65 66.17 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.067 -1.021 . . . . 0.0 108.529 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 73.4 mt-10 -63.86 -52.1 61.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 111.309 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -53.31 -38.34 63.1 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.374 -1.454 . . . . 0.0 108.793 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.81 -39.28 90.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.88 -40.89 97.6 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.12 -56.47 9.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.7 mt -50.43 -29.84 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.26 -43.28 21.64 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.866 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.67 -37.01 84.75 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 77' ' ' LEU . 21.2 mt -71.55 -40.19 70.19 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.3 41.65 7.84 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.5 2.048 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.736 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.337 0.589 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 14.5 t -160.99 179.82 8.14 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.295 -0.878 . . . . 0.0 109.576 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 16' ' ' TRP . 67.5 mt -140.94 163.75 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.546 ' N ' HG22 ' A' ' 15' ' ' ILE . 44.1 m95 -147.32 155.56 42.13 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 27.2 m -151.48 154.4 36.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.171 -0.955 . . . . 0.0 111.277 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 p -83.63 149.67 57.87 Favored Pre-proline 0 C--N 1.302 -1.495 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -39.25 -45.11 2.93 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.179 1.919 . . . . 0.0 112.812 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -54.17 -37.84 64.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.41 -0.807 . . . . 0.0 110.889 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -76.02 -35.04 59.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.76 -1.213 . . . . 0.0 109.032 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -75.31 -56.46 8.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.192 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -25.51 7.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 108.932 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.91 -16.83 54.52 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.06 150.34 30.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.878 -1.139 . . . . 0.0 109.903 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.43 ' O ' ' OE1' ' A' ' 72' ' ' GLN . 10.1 m-20 -65.64 150.78 47.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.977 -1.077 . . . . 0.0 108.644 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.44 -27.41 4.68 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 mmt -92.23 123.24 63.08 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.569 -0.96 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD3' HH11 ' A' ' 38' ' ' ARG . 94.6 Cg_exo -41.79 144.6 0.86 Allowed 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.782 1.655 . . . . 0.0 112.329 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.03 38.98 3.15 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -138.02 126.29 23.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.524 -0.986 . . . . 0.0 109.109 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -52.25 -44.66 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.149 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -38.44 65.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.21 -0.931 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.7 54.77 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.86 -50.31 75.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.157 -1.202 . . . . 0.0 108.089 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 36.8 m-70 -54.97 -26.78 38.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.397 -0.814 . . . . 0.0 109.082 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.435 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.6 t80 -58.69 -76.97 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.564 HH21 HE22 ' A' ' 42' ' ' GLN . 7.7 ptm180 -56.62 -29.23 61.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.209 -0.932 . . . . 0.0 110.088 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.89 -54.75 34.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.899 -1.126 . . . . 0.0 110.657 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 10.0 p30 -74.32 -40.92 61.91 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.236 -0.915 . . . . 0.0 110.149 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.65 -37.94 81.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.083 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.564 HE22 HH21 ' A' ' 38' ' ' ARG . 87.3 mt-30 -84.14 -36.98 22.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.031 -1.043 . . . . 0.0 109.942 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 49.73 2.0 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.486 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 40.8 m0 -65.58 155.35 36.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.308 -1.113 . . . . 0.0 109.559 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.6 m -75.47 163.41 27.43 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -141.97 142.58 32.98 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 122.671 1.224 . . . . 0.0 111.39 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -127.82 127.19 43.05 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -70.94 131.67 44.06 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.877 0.846 . . . . 0.0 111.47 -177.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -111.77 142.05 44.62 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.6 mt-10 -130.67 -44.02 1.1 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.256 -0.903 . . . . 0.0 110.221 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -37.23 -25.76 0.01 OUTLIER Glycine 0 N--CA 1.499 2.835 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.8 t -88.61 142.69 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.998 -1.295 . . . . 0.0 109.391 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 171.82 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.953 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 77.83 -33.77 1.66 Allowed Glycine 0 N--CA 1.486 2.005 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.05 -30.53 0.3 Allowed Glycine 0 N--CA 1.493 2.44 0 O-C-N 120.905 -1.35 . . . . 0.0 110.313 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.4 mttp -64.66 -2.13 2.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.064 -1.257 . . . . 0.0 109.3 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.67 128.48 36.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 111.492 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 58' ' ' VAL . 18.6 m -138.11 130.83 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.96 164.06 12.69 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.12 -0.988 . . . . 0.0 110.005 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -117.58 150.24 39.32 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 59.3 t0 -77.69 121.9 24.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.081 -1.012 . . . . 0.0 110.798 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.95 -27.28 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.5 mmt -74.64 -6.45 48.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.797 -0.564 . . . . 0.0 110.224 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 p -102.58 -5.66 23.67 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.486 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.0 mmt -72.63 150.44 91.12 Favored Pre-proline 0 C--N 1.304 -1.386 0 O-C-N 121.507 -0.746 . . . . 0.0 109.445 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' THR . 82.3 Cg_exo -41.27 139.1 1.78 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 121.607 1.538 . . . . 0.0 111.051 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 66' ' ' PRO . 15.0 m -40.87 -58.65 1.63 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.323 -0.86 . . . . 0.0 110.209 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -53.33 -47.51 69.25 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.843 . . . . 0.0 109.284 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.33 -36.94 71.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.215 -178.914 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -54.46 -47.72 72.61 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.807 -1.183 . . . . 0.0 109.902 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.02 -58.24 9.25 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.618 -0.676 . . . . 0.0 110.105 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' A' ' 69' ' ' GLU . 10.7 pt20 -62.64 -35.86 80.95 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 118.164 -1.414 . . . . 0.0 109.429 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 69' ' ' GLU . 60.1 t -70.33 -48.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' GLY . 50.9 mt -62.67 -37.66 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.47 72.76 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -63.19 -42.36 99.34 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.7 -34.34 69.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 79.9 37.86 21.26 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 N--CA 1.501 2.125 0 O-C-N 121.278 -1.13 . . . . 0.0 108.913 179.506 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.9 t -160.87 175.56 12.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 109.837 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.549 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.4 mt -142.2 162.41 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.549 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.0 m95 -144.48 155.41 43.7 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.775 -0.578 . . . . 0.0 109.547 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -149.81 156.15 41.31 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.223 -0.923 . . . . 0.0 111.051 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -82.0 149.82 63.79 Favored Pre-proline 0 N--CA 1.488 1.465 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.91 -43.5 6.94 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.945 1.763 . . . . 0.0 112.587 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -55.42 -39.5 70.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.526 -0.734 . . . . 0.0 111.052 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.27 -32.7 66.87 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.763 -1.21 . . . . 0.0 108.467 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.442 ' C ' ' N ' ' A' ' 24' ' ' ALA . 61.4 mt -76.92 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.685 -0.634 . . . . 0.0 110.278 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.12 -18.47 0.57 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 22' ' ' ILE . . . -80.55 -18.46 48.34 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.04 163.93 26.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 0.0 109.9 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' MET . 8.8 t70 -65.04 -76.21 0.08 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.382 -0.823 . . . . 0.0 111.671 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' H ' ' HG3' ' A' ' 72' ' ' GLN . . . -48.15 -9.41 0.07 OUTLIER Glycine 0 N--CA 1.496 2.665 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -178.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 26' ' ' ASP . 13.1 mmt -100.59 134.35 20.67 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.218 -1.166 . . . . 0.0 110.744 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 87.0 Cg_exo -45.06 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.084 1.856 . . . . 0.0 112.73 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.94 38.69 2.61 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -145.54 134.32 22.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.389 -1.065 . . . . 0.0 108.791 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.28 -45.32 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.042 -1.036 . . . . 0.0 109.084 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.06 64.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.186 -0.946 . . . . 0.0 108.678 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.47 -40.29 92.02 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.68 -53.53 41.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.218 -1.166 . . . . 0.0 108.398 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.519 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.6 m-70 -50.38 -29.77 10.8 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.351 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.413 ' HA ' HD21 ' A' ' 40' ' ' ASN . 30.2 t80 -60.52 -74.99 0.07 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 34.6 ttm180 -53.74 -30.74 45.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.338 -0.851 . . . . 0.0 109.547 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -56.0 -53.33 58.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 110.519 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -73.61 -44.93 55.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 110.054 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 65.6 t -52.43 -45.91 46.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.249 -0.981 . . . . 0.0 109.172 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -86.83 -44.24 11.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 109.177 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 93.27 58.96 1.25 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 27.3 m0 -68.05 159.23 31.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.327 -1.102 . . . . 0.0 109.837 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -74.4 154.83 38.63 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -142.5 131.18 22.66 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 122.729 1.252 . . . . 0.0 112.2 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.516 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 21.1 ttm-85 -97.51 140.52 31.81 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -76.8 125.2 28.87 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.542 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -103.25 141.32 36.1 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 52' ' ' VAL . 36.2 mt-10 -126.4 -37.95 2.16 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.428 -0.795 . . . . 0.0 110.09 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.17 -35.24 0.01 OUTLIER Glycine 0 N--CA 1.502 3.097 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 50' ' ' GLU . 39.7 t -89.85 127.66 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.372 -1.075 . . . . 0.0 108.631 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -57.65 115.67 2.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.107 -0.995 . . . . 0.0 108.859 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.1 -33.47 0.3 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.87 -38.94 1.1 Allowed Glycine 0 N--CA 1.493 2.454 0 O-C-N 121.206 -1.173 . . . . 0.0 110.9 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.659 ' HB2' ' HZ3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -77.21 -1.74 31.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.94 -1.329 . . . . 0.0 109.898 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.22 131.67 47.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.993 . . . . 0.0 110.051 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' VAL . 20.9 m -144.73 134.71 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.364 -0.835 . . . . 0.0 109.402 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -96.18 170.1 9.49 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.198 -0.939 . . . . 0.0 109.467 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -120.77 150.4 41.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.422 -0.799 . . . . 0.0 109.438 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -80.06 110.97 15.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 110.211 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.15 -29.28 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.239 -0.913 . . . . 0.0 108.903 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.9 mmt -71.16 -0.48 9.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.467 -0.771 . . . . 0.0 109.214 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.3 p -107.98 -10.39 15.51 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 mtt -73.48 144.36 83.68 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 120.905 -1.122 . . . . 0.0 108.073 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.4 Cg_exo -42.26 139.79 2.63 Favored 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 121.005 1.137 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 9.1 m -41.15 -61.18 1.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.327 -0.858 . . . . 0.0 110.491 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -51.89 -44.99 63.99 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.929 -1.107 . . . . 0.0 109.059 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -63.7 -54.49 34.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.838 . . . . 0.0 110.446 -179.405 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -57.6 -28.56 63.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.096 -1.003 . . . . 0.0 109.812 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -62.83 -38.67 91.68 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.807 -1.183 . . . . 0.0 108.507 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.484 ' HG3' ' H ' ' A' ' 27' ' ' GLY . 32.0 mm-40 -64.39 -41.19 96.8 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.749 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' LEU . 3.2 t -71.34 -56.39 10.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 79' ' ' LEU . 43.5 mt -54.32 -37.43 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.59 -42.79 33.83 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.076 -1.015 . . . . 0.0 108.571 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -63.5 -33.88 76.55 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . 57.3 mt -71.69 -46.98 57.11 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.01 21.07 5.05 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' HB2' HG23 ' A' ' 74' ' ' ILE . 6.0 mp . . . . . 0 N--CA 1.497 1.897 0 O-C-N 121.028 -1.277 . . . . 0.0 108.152 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 14' ' ' SER . 21.9 ttpt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.403 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 21.4 t -160.71 173.57 15.23 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.276 -0.89 . . . . 0.0 109.401 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 16' ' ' TRP . 62.1 mt -141.84 164.87 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.55 ' N ' HG22 ' A' ' 15' ' ' ILE . 32.1 m95 -148.18 153.28 38.58 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 109.776 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 6.0 m -151.81 153.9 35.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.3 -0.875 . . . . 0.0 110.782 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.51 162.3 63.86 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.75 -35.16 97.66 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.104 1.869 . . . . 0.0 111.433 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.5 -40.7 87.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.521 -0.737 . . . . 0.0 110.18 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -73.11 -35.13 66.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.995 -1.065 . . . . 0.0 108.961 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.526 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 86.6 mt -74.09 -58.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.71 -0.619 . . . . 0.0 111.009 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.67 -24.16 3.14 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.038 -1.039 . . . . 0.0 108.682 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -18.02 47.31 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.838 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB1' ' HA ' ' A' ' 73' ' ' VAL . . . -79.28 151.27 31.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.934 -1.104 . . . . 0.0 109.951 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.24 149.54 49.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.03 -25.29 6.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.526 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 12.2 mmt -93.66 136.99 23.44 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.589 -0.948 . . . . 0.0 109.467 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 79.9 Cg_exo -42.68 171.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.644 1.562 . . . . 0.0 112.083 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.33 30.98 6.95 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -143.79 139.57 29.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.358 -1.083 . . . . 0.0 109.087 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.9 t -54.39 -41.46 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.54 69.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.039 . . . . 0.0 109.551 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.01 -37.8 23.33 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.8 -57.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.212 -1.17 . . . . 0.0 108.4 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.51 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 43.8 m-70 -51.08 -25.75 5.45 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.344 -0.848 . . . . 0.0 109.637 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 31.6 t80 -61.13 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.291 -0.88 . . . . 0.0 109.312 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.666 HH21 HE22 ' A' ' 42' ' ' GLN . 7.2 ptm180 -56.06 -29.05 59.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.878 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.6 -51.34 67.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.926 -1.109 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.8 p30 -73.62 -41.99 62.06 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.079 -1.013 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.8 t -64.51 -38.96 83.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.705 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.666 HE22 HH21 ' A' ' 38' ' ' ARG . 92.3 mt-30 -85.12 -30.21 24.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.213 -0.93 . . . . 0.0 109.895 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.66 53.9 3.08 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -68.06 149.82 49.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -1.187 . . . . 0.0 109.85 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -72.55 153.77 41.14 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -142.34 131.25 22.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.756 -1.215 . . . . 0.0 111.832 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp180 -105.8 135.4 47.29 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.49 131.82 43.04 Favored 'General case' 0 C--N 1.292 -1.935 0 O-C-N 121.336 -0.853 . . . . 0.0 111.061 -178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 47.0 tttt -119.78 126.56 51.32 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.8 mt-10 -117.58 -38.31 3.32 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.336 -0.852 . . . . 0.0 110.784 -177.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.81 -30.89 0.01 OUTLIER Glycine 0 N--CA 1.501 2.985 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 50' ' ' GLU . 46.0 t -90.15 144.65 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.082 -1.246 . . . . 0.0 110.132 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HZ3' ' HB2' ' A' ' 53' ' ' LYS . 6.2 ttmm -55.63 144.89 25.1 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.48 -45.85 1.22 Allowed Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 -41.52 3.04 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.061 -1.258 . . . . 0.0 110.526 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' ALA . 23.3 mttm -66.71 -14.26 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.95 -1.324 . . . . 0.0 109.714 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . -43.72 125.81 4.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.285 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.2 p -142.34 129.32 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -94.04 165.97 12.38 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.852 -1.155 . . . . 0.0 109.873 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.6 148.87 43.97 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -80.31 114.04 18.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 111.283 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.05 -27.37 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mtt -72.21 -2.57 19.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.6 p -106.91 -13.75 15.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.262 -0.899 . . . . 0.0 108.971 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mtt -72.07 158.44 87.63 Favored Pre-proline 0 N--CA 1.487 1.382 0 O-C-N 121.052 -1.03 . . . . 0.0 109.455 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.15 141.2 1.14 Allowed 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.125 1.883 . . . . 0.0 111.592 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.9 m -46.23 -56.55 5.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.074 -1.016 . . . . 0.0 109.692 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -50.55 -47.45 57.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -60.03 -37.15 78.92 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 110.589 -179.083 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -54.9 -53.04 60.61 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.032 -1.042 . . . . 0.0 111.409 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.48 -55.08 35.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 110.639 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.19 -38.37 86.27 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.713 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 69' ' ' GLU . 78.1 t -69.45 -47.46 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 78' ' ' GLY . 39.2 mt -60.88 -42.63 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.15 85.17 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -64.36 -38.79 92.27 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -71.97 -38.53 69.72 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 86.83 34.27 11.47 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.5 2.069 0 O-C-N 121.299 -1.118 . . . . 0.0 109.254 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tttt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.446 0.641 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -161.7 169.79 20.88 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.44 -0.788 . . . . 0.0 109.091 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 16' ' ' TRP . 63.0 mt -143.62 163.83 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.539 ' N ' HG22 ' A' ' 15' ' ' ILE . 20.6 m95 -148.69 154.71 40.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.664 -0.648 . . . . 0.0 109.481 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 34.1 m -150.67 158.36 44.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.568 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.4 m -80.64 146.62 61.1 Favored Pre-proline 0 N--CA 1.488 1.452 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.55 -46.35 4.55 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 121.919 1.746 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.27 -31.82 65.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.448 -0.783 . . . . 0.0 111.161 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -74.02 -41.03 62.45 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.796 -1.19 . . . . 0.0 109.059 -179.596 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -74.21 -52.6 19.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 110.215 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -51.58 -23.72 4.54 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 0.0 108.448 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.06 -15.17 54.44 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.885 -0.509 . . . . 0.0 109.862 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.08 29.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.999 -1.063 . . . . 0.0 109.5 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.99 154.86 29.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.079 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.4 -17.46 24.17 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -91.82 148.79 37.85 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 109.628 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -35.57 -61.82 0.26 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.725 2.284 . . . . 0.0 113.145 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.43 17.68 8.02 Favored Glycine 0 N--CA 1.498 2.821 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -145.45 142.21 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.534 -0.98 . . . . 0.0 108.906 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.2 -55.58 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.945 -1.097 . . . . 0.0 108.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.49 74.2 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.18 -39.73 65.0 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.37 -58.35 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.13 -1.218 . . . . 0.0 108.189 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.498 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 61.2 m-70 -46.68 -38.2 9.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.299 -0.876 . . . . 0.0 109.638 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.543 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 23.8 t80 -56.49 -75.72 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -32.29 62.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 110.147 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.11 78.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.824 -1.173 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.5 p30 -73.16 -43.12 61.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.03 -1.044 . . . . 0.0 109.935 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.85 -40.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.305 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.469 ' HA ' HE21 ' A' ' 42' ' ' GLN . 0.8 OUTLIER -86.16 -45.88 10.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.487 -0.758 . . . . 0.0 109.56 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.6 56.0 0.78 Allowed Glycine 0 N--CA 1.496 2.684 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -67.11 140.17 57.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.378 -1.071 . . . . 0.0 109.907 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -72.48 147.69 45.81 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -138.98 132.67 30.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.788 -1.195 . . . . 0.0 111.984 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.539 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 12.4 ttm180 -101.25 139.3 37.12 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -71.98 130.64 41.46 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 121.282 -0.886 . . . . 0.0 110.227 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 57' ' ' ALA . 56.5 tttt -114.14 143.96 43.95 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.9 mm-40 -130.63 -39.11 1.28 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.193 -0.942 . . . . 0.0 110.39 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.11 -35.37 0.01 OUTLIER Glycine 0 N--CA 1.502 3.065 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.2 t -93.18 145.27 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.208 -1.171 . . . . 0.0 109.701 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 52' ' ' VAL . 19.5 mttp -51.24 -177.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.31 -0.869 . . . . 0.0 109.295 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 83.3 -38.89 2.76 Favored Glycine 0 N--CA 1.489 2.219 0 C-N-CA 120.292 -0.956 . . . . 0.0 110.717 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.41 -35.61 0.56 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.0 mtmm -67.15 -1.89 4.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -1.15 . . . . 0.0 109.148 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -60.66 120.65 10.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.278 -0.889 . . . . 0.0 111.504 -178.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 58' ' ' VAL . 34.5 m -136.04 131.85 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -95.42 166.44 11.87 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.125 -0.984 . . . . 0.0 110.018 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -117.16 149.68 39.97 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -79.42 114.85 18.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 111.171 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.41 -27.5 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.177 -0.952 . . . . 0.0 108.534 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.87 -4.07 18.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.9 p -102.63 -6.78 22.38 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.612 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.8 146.45 95.55 Favored Pre-proline 0 N--CA 1.481 1.097 0 O-C-N 121.133 -0.979 . . . . 0.0 108.618 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 69' ' ' GLU . 78.4 Cg_exo -40.87 128.82 2.78 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.249 1.299 . . . . 0.0 110.123 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 66' ' ' PRO . 27.6 m -33.02 -58.17 0.37 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.689 -0.632 . . . . 0.0 111.023 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -54.56 -45.98 73.59 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.858 -1.151 . . . . 0.0 108.698 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' PRO . 64.0 mm-40 -65.54 -49.09 70.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.535 -0.728 . . . . 0.0 112.005 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -53.89 -42.37 68.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.404 -1.435 . . . . 0.0 109.412 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.9 -38.0 89.19 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -64.16 -41.01 97.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.0 -56.88 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 79' ' ' LEU . 82.4 mt -51.11 -41.13 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.92 84.55 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.74 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -63.8 -37.81 88.75 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.3 mt -70.74 -38.76 73.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 90.06 36.2 7.28 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.5 mp . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.518 -0.989 . . . . 0.0 108.412 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB3' ' HZ2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 t -161.86 175.23 12.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.332 -0.855 . . . . 0.0 109.743 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.8 mt -141.41 161.85 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 17.2 m95 -144.98 153.6 41.68 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 21.2 m -150.54 155.22 39.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 111.327 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.86 164.04 55.13 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 177.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.53 -33.83 98.35 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.015 1.81 . . . . 0.0 111.346 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.84 -36.22 78.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.372 -0.83 . . . . 0.0 110.594 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -77.91 -35.78 50.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.003 -1.06 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.46 -52.53 19.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -25.99 22.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -14.93 57.63 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.136 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.74 154.5 29.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.8 -1.187 . . . . 0.0 110.17 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 28' ' ' MET . 13.2 m-20 -66.95 153.64 43.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.965 -1.084 . . . . 0.0 108.678 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.03 -23.9 3.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.411 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.7 mmt -91.21 152.69 44.22 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.392 -1.063 . . . . 0.0 109.414 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD3' HH11 ' A' ' 38' ' ' ARG . 18.2 Cg_endo -59.57 169.27 4.38 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.111 1.874 . . . . 0.0 111.84 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.92 36.94 3.77 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' H ' ' A' ' 34' ' ' GLY . 0.7 OUTLIER -145.26 133.64 21.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.92 . . . . 0.0 109.029 -179.238 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 32' ' ' VAL . 14.0 t -53.19 -43.42 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.154 -0.966 . . . . 0.0 109.116 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.93 72.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.247 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' H ' ' HB2' ' A' ' 31' ' ' SER . . . -50.29 -42.6 41.97 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.33 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.163 -1.198 . . . . 0.0 108.526 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -59.08 -25.35 63.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.282 -0.886 . . . . 0.0 109.454 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.5 t80 -59.98 -77.39 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 29' ' ' PRO . 8.4 ptm180 -52.47 -41.02 62.97 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 110.138 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.25 -31.17 68.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 4.2 p30 -76.83 -44.95 30.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.775 -1.203 . . . . 0.0 109.695 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.54 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.3 p -78.37 -28.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 119.414 -0.914 . . . . 0.0 110.013 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.469 HE22 ' HG3' ' A' ' 66' ' ' PRO . 52.2 mt-30 -83.29 -21.85 33.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.899 -1.126 . . . . 0.0 109.066 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.03 54.58 11.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -65.3 158.39 26.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -1.176 . . . . 0.0 109.014 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.12 158.69 36.02 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -139.94 138.89 35.95 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.539 1.161 . . . . 0.0 111.658 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 5.2 ttp180 -128.63 115.97 18.87 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.16 119.93 19.04 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.59 174.06 7.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.041 -1.037 . . . . 0.0 108.442 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 52' ' ' VAL . 23.6 mt-10 -131.64 -32.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.204 -0.935 . . . . 0.0 110.25 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.72 25.21 0.03 OUTLIER Glycine 0 N--CA 1.497 2.735 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.586 ' H ' ' C ' ' A' ' 50' ' ' GLU . 18.5 t -142.83 130.3 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.948 -1.324 . . . . 0.0 109.088 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 55' ' ' GLY . 67.7 mttt -47.38 175.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.794 0.807 . . . . 0.0 110.044 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.55 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 71.03 -34.59 0.51 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 69.05 -25.22 0.31 Allowed Glycine 0 N--CA 1.49 2.257 0 O-C-N 120.881 -1.364 . . . . 0.0 109.722 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 54' ' ' GLY . 35.2 mttm -60.86 -20.09 61.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.289 . . . . 0.0 108.494 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.55 125.29 8.15 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.512 0.672 . . . . 0.0 110.134 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -140.31 127.18 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.416 -0.803 . . . . 0.0 109.242 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 1.4 mp0 -92.56 171.52 8.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.175 -0.953 . . . . 0.0 108.722 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 27.8 m-85 -131.5 148.67 52.65 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.52 ' O ' ' SD ' ' A' ' 65' ' ' MET . 53.2 t0 -76.29 116.82 17.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.46 -25.14 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mmt -70.98 -0.23 8.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 0.0 109.128 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 p -110.65 -8.36 14.6 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.651 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.99 151.59 96.11 Favored Pre-proline 0 N--CA 1.483 1.188 0 O-C-N 121.183 -0.948 . . . . 0.0 109.935 -179.202 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.469 ' HG3' HE22 ' A' ' 42' ' ' GLN . 92.5 Cg_exo -41.85 142.9 1.27 Allowed 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 121.523 1.482 . . . . 0.0 110.683 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -46.94 -51.11 17.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.939 -1.101 . . . . 0.0 108.664 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 68' ' ' LYS . 87.6 mttt -54.75 -53.44 55.0 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.006 179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.0 -35.37 69.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.22 -0.925 . . . . 0.0 110.692 -178.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -55.04 -54.26 45.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.816 -1.177 . . . . 0.0 110.798 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.44 -32.93 70.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.956 -1.09 . . . . 0.0 109.621 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -65.54 -48.45 72.39 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.558 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.1 -54.12 24.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.62 -43.56 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.66 74.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.07 -1.018 . . . . 0.0 108.858 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.8 -37.15 86.29 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 77' ' ' LEU . 21.3 mt -71.57 -40.86 69.66 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.1 31.43 6.57 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.497 1.904 0 O-C-N 121.247 -1.149 . . . . 0.0 108.799 179.857 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 tttp . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 t -161.01 172.34 17.05 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.494 -0.754 . . . . 0.0 109.409 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 16' ' ' TRP . 63.3 mt -142.3 163.45 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' N ' HG22 ' A' ' 15' ' ' ILE . 24.0 m95 -146.79 154.28 41.19 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.7 m -151.41 159.41 44.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.226 -0.921 . . . . 0.0 110.976 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.01 163.38 60.46 Favored Pre-proline 0 C--N 1.303 -1.446 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.89 -37.63 84.61 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.006 1.804 . . . . 0.0 111.667 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.94 -30.04 68.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.43 -0.794 . . . . 0.0 110.744 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.81 -40.29 40.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.895 -1.128 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.94 -51.35 27.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.588 -0.695 . . . . 0.0 110.114 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -28.6 35.6 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.323 -0.861 . . . . 0.0 108.984 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.81 -13.2 59.59 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.796 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.82 150.96 32.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.95 -1.094 . . . . 0.0 109.882 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.8 147.45 53.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.36 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.18 -23.64 5.99 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 29' ' ' PRO . 11.6 mmt -93.58 140.84 23.24 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.368 -1.078 . . . . 0.0 109.412 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 28' ' ' MET . 83.6 Cg_exo -41.89 171.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.91 1.74 . . . . 0.0 112.538 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.84 30.94 5.71 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.37 137.11 24.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.518 -0.99 . . . . 0.0 108.616 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.38 -50.13 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.19 -0.944 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.6 -40.46 79.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.051 -1.03 . . . . 0.0 108.429 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.89 -34.62 45.84 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -65.69 -63.59 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.124 -1.221 . . . . 0.0 109.072 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.455 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 47.2 m-70 -48.89 -25.64 2.02 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.573 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 20.6 t80 -61.0 -75.05 0.07 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.303 -0.873 . . . . 0.0 109.0 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.73 HH21 HE22 ' A' ' 42' ' ' GLN . 48.1 mtp180 -52.31 -35.81 51.51 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.027 . . . . 0.0 109.419 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.77 -54.0 27.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.427 -0.796 . . . . 0.0 110.666 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.7 p30 -74.29 -43.96 54.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.043 -1.035 . . . . 0.0 109.783 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.36 -41.59 87.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.489 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.73 HE22 HH21 ' A' ' 38' ' ' ARG . 64.4 mt-30 -86.66 -41.75 13.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.74 49.82 1.9 Allowed Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -65.93 148.22 52.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -1.123 . . . . 0.0 109.461 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.5 m -71.47 156.89 38.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -141.87 128.92 20.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.671 1.224 . . . . 0.0 112.303 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -101.11 128.08 47.36 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -71.22 123.62 22.63 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 121.287 -0.883 . . . . 0.0 110.28 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ALA . 57.0 tttp -104.17 136.04 44.53 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.8 mt-10 -131.0 -38.77 1.23 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.249 -0.907 . . . . 0.0 110.675 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -32.08 -32.16 0.01 OUTLIER Glycine 0 N--CA 1.503 3.137 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 41.0 t -90.61 155.05 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.196 -1.179 . . . . 0.0 109.577 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' GLY . 70.8 mttt -50.65 -175.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.338 -0.851 . . . . 0.0 110.11 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.66 -39.29 0.18 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 70.18 -21.62 0.51 Allowed Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.015 -1.285 . . . . 0.0 110.044 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.8 mtpp -69.82 -14.07 62.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.096 -1.238 . . . . 0.0 109.326 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -47.49 134.36 12.1 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.421 -0.799 . . . . 0.0 110.855 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.53 126.81 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -94.48 168.91 10.57 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.97 -1.081 . . . . 0.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -124.61 150.87 45.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' SD ' ' A' ' 65' ' ' MET . 20.2 t0 -77.3 113.73 15.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.219 -0.926 . . . . 0.0 111.132 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 88.1 t -62.94 -28.96 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.7 mmt -69.73 -2.52 12.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.265 -0.897 . . . . 0.0 108.732 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.2 p -101.56 -15.11 17.19 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.647 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.26 147.5 98.26 Favored Pre-proline 0 C--N 1.31 -1.12 0 O-C-N 121.227 -0.92 . . . . 0.0 108.914 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -40.15 142.27 0.61 Allowed 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.766 1.644 . . . . 0.0 111.192 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -43.86 -61.73 1.34 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.282 -0.887 . . . . 0.0 110.032 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -50.58 -46.52 57.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.22 -0.925 . . . . 0.0 109.4 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -59.78 -36.75 77.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.544 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -53.84 -45.42 70.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.901 -1.125 . . . . 0.0 109.587 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.677 -0.639 . . . . 0.0 109.329 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -63.91 -44.75 91.98 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.717 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 t -70.17 -52.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.9 mt -56.7 -37.0 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.299 -0.876 . . . . 0.0 108.652 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.89 51.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.71 -40.03 63.89 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.12 35.47 7.58 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 N--CA 1.496 1.833 0 O-C-N 121.293 -1.122 . . . . 0.0 109.076 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 t -161.3 175.38 12.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 109.746 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 16' ' ' TRP . 65.5 mt -143.13 162.53 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.53 ' N ' HG22 ' A' ' 15' ' ' ILE . 18.7 m95 -145.35 155.55 43.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.739 -0.601 . . . . 0.0 109.662 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.8 m -151.46 156.42 40.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 110.919 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -81.66 150.88 67.28 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -41.88 -48.18 6.14 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.13 1.886 . . . . 0.0 112.714 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -56.08 -31.42 63.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.411 -0.806 . . . . 0.0 110.841 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.83 -37.19 56.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.791 -1.193 . . . . 0.0 108.679 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.6 mt -76.17 -51.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.674 -0.641 . . . . 0.0 110.336 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ptm -51.86 -29.36 19.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.274 -0.891 . . . . 0.0 108.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.36 -12.0 59.64 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.671 -0.643 . . . . 0.0 110.295 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.76 153.17 27.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.609 -1.307 . . . . 0.0 109.815 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -65.41 152.76 43.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 0.0 109.572 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.83 4.63 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.7 mmt -91.36 150.1 40.77 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.249 -1.148 . . . . 0.0 109.384 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 31' ' ' SER . 47.5 Cg_endo -69.91 126.92 13.76 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.025 1.817 . . . . 0.0 112.026 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.82 30.81 0.63 Allowed Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 29' ' ' PRO . 24.0 m -129.79 123.52 31.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.617 -0.931 . . . . 0.0 108.535 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 t -51.61 -40.32 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 109.493 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.89 60.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.042 -1.036 . . . . 0.0 108.862 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.49 -38.85 35.78 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.15 -51.58 69.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -1.188 . . . . 0.0 108.753 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -56.66 -26.68 56.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.481 -0.762 . . . . 0.0 109.757 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.532 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.8 t80 -60.04 -73.23 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.646 HH21 HE22 ' A' ' 42' ' ' GLN . 7.5 ptm180 -54.81 -30.27 56.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.329 -0.857 . . . . 0.0 109.092 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.97 48.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.165 -0.96 . . . . 0.0 110.724 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 9.6 p30 -73.44 -38.43 65.52 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.143 -0.973 . . . . 0.0 109.935 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -69.2 -36.4 72.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.963 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.646 HE22 HH21 ' A' ' 38' ' ' ARG . 80.4 mt-30 -87.59 -24.66 23.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.6 51.93 3.9 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.531 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.5 m0 -67.56 144.9 55.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -1.106 . . . . 0.0 109.84 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.3 m -72.95 155.26 40.03 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -139.79 135.74 33.35 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.502 1.144 . . . . 0.0 112.176 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.4 123.9 51.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -74.43 125.8 29.34 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.521 -0.737 . . . . 0.0 111.232 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.448 ' NZ ' ' CD ' ' A' ' 59' ' ' GLU . 24.6 mtpp -70.39 -178.74 1.81 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.447 -0.783 . . . . 0.0 109.033 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -131.96 -60.27 0.92 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.11 -0.994 . . . . 0.0 111.454 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.21 1.47 49.16 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 121.283 -0.885 . . . . 0.0 112.81 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.6 t -91.05 128.25 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.388 -1.654 . . . . 0.0 110.43 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' A' ' 55' ' ' GLY . 30.4 mttp -53.66 -174.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.374 -0.829 . . . . 0.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.87 -31.19 0.24 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.23 -38.87 0.26 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.1 mtpp -62.5 -4.14 1.78 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.102 -1.234 . . . . 0.0 108.533 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -65.8 120.82 13.71 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.503 -0.748 . . . . 0.0 110.735 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.71 139.84 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.484 -0.76 . . . . 0.0 109.433 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.448 ' CD ' ' NZ ' ' A' ' 49' ' ' LYS . 23.3 mt-10 -92.7 173.64 7.67 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.244 -0.91 . . . . 0.0 108.647 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -128.28 149.86 50.31 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.435 -0.79 . . . . 0.0 108.947 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -75.65 118.56 18.61 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.279 -0.888 . . . . 0.0 110.778 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.437 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 77.2 t -64.21 -30.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 121.659 0.742 . . . . 0.0 109.399 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.81 -6.12 47.21 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.638 -0.664 . . . . 0.0 110.31 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.3 p -97.63 -8.61 28.51 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.531 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 18.7 mmt -73.82 150.37 88.39 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.78 -0.575 . . . . 0.0 109.657 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 79.9 Cg_exo -41.89 141.81 1.63 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.462 1.441 . . . . 0.0 110.89 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 17.3 m -43.47 -59.27 2.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.279 -0.888 . . . . 0.0 110.052 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -51.77 -47.68 64.04 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.289 -0.882 . . . . 0.0 109.334 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -58.32 -37.19 74.6 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.474 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -54.03 -47.28 71.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.883 -1.135 . . . . 0.0 109.744 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.22 -34.7 74.02 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.503 -0.748 . . . . 0.0 109.509 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.38 -50.91 68.04 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.977 -1.089 . . . . 0.0 108.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.65 -50.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.606 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.9 mt -55.36 -35.02 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.016 . . . . 0.0 109.205 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.04 -40.46 24.18 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.133 -0.979 . . . . 0.0 108.743 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.76 -35.4 80.47 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.76 -49.74 36.27 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.16 24.96 4.61 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.682 ' N ' HD12 ' A' ' 79' ' ' LEU . 7.6 mp . . . . . 0 N--CA 1.505 2.324 0 O-C-N 120.798 -1.413 . . . . 0.0 108.948 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.379 0.609 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.4 t -159.57 171.47 19.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.885 . . . . 0.0 109.409 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 16' ' ' TRP . 69.8 mt -143.29 161.85 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.548 ' N ' HG22 ' A' ' 15' ' ' ILE . 20.9 m95 -144.51 159.02 43.47 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.139 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.485 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 21.2 m -148.86 154.89 40.13 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.87 -1.144 . . . . 0.0 111.246 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -82.47 151.45 65.46 Favored Pre-proline 0 N--CA 1.489 1.477 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.027 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.04 -52.65 2.74 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.201 1.934 . . . . 0.0 112.85 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -54.59 -30.99 56.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 111.04 -178.557 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -35.05 59.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.57 -1.331 . . . . 0.0 108.935 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 25' ' ' ALA . 67.9 mt -74.75 -60.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 110.221 -179.777 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -24.95 2.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -0.948 . . . . 0.0 109.033 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.97 -17.74 49.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -83.24 142.0 31.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.9 -1.125 . . . . 0.0 109.184 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.14 161.17 7.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.784 -1.198 . . . . 0.0 108.775 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.33 -19.81 7.96 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.457 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 29.1 mmt -92.0 148.54 37.12 Favored Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.155 -1.203 . . . . 0.0 109.682 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -35.94 -69.79 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.919 2.413 . . . . 0.0 113.46 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.27 4.01 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 108.856 -1.697 . . . . 0.0 108.856 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -144.58 136.36 25.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.415 -1.05 . . . . 0.0 108.277 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -47.71 -54.13 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.18 80.07 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.08 -1.012 . . . . 0.0 108.309 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.71 -38.7 73.6 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.734 -1.747 . . . . 0.0 108.734 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.04 -48.16 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.096 -1.238 . . . . 0.0 108.526 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.517 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 65.1 m-70 -62.69 -23.96 67.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.547 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 29.7 t80 -61.3 -74.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.341 -0.85 . . . . 0.0 109.051 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -55.62 -33.75 64.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -57.07 -49.55 75.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.947 -1.095 . . . . 0.0 110.84 -179.463 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.5 p30 -72.71 -42.57 64.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 109.524 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.3 -43.69 86.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.3 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.32 -43.09 11.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.422 -0.799 . . . . 0.0 109.707 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 94.63 58.5 1.19 Allowed Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -68.59 151.58 46.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.142 -1.211 . . . . 0.0 110.069 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -75.03 151.06 38.75 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.87 134.74 30.51 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 122.923 1.344 . . . . 0.0 112.606 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -99.34 126.04 45.12 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 47.2 tttp -74.94 124.23 26.54 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.314 -0.866 . . . . 0.0 111.151 -178.484 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 59' ' ' GLU . 24.8 mtpp -71.95 173.07 8.87 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.513 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -131.61 -56.39 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.25 -0.906 . . . . 0.0 110.529 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.4 -9.23 35.79 Favored Glycine 0 N--CA 1.496 2.666 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.135 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.61 129.81 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.511 -1.582 . . . . 0.0 110.243 -179.2 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 55' ' ' GLY . 41.0 mttp -51.23 -175.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.937 0.875 . . . . 0.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 64.26 -35.87 0.09 OUTLIER Glycine 0 N--CA 1.488 2.103 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.678 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 73.83 -27.2 0.93 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.5 mtpp -68.07 -10.76 56.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -1.147 . . . . 0.0 108.763 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.67 123.12 17.56 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.503 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.84 138.45 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.264 -0.897 . . . . 0.0 109.181 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 49' ' ' LYS . 43.2 mt-10 -92.27 167.98 11.64 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.184 -0.947 . . . . 0.0 108.594 179.227 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -119.16 147.42 44.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.5 -0.75 . . . . 0.0 108.996 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.27 120.09 21.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.396 -0.815 . . . . 0.0 110.989 -178.394 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 81.8 t -64.78 -29.77 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.335 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.7 mmt -74.08 -4.57 36.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.59 -0.694 . . . . 0.0 109.622 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.1 p -102.63 -6.26 22.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 mmt -71.54 152.7 93.81 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.646 -0.659 . . . . 0.0 109.537 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -44.42 142.81 4.2 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.515 1.476 . . . . 0.0 110.776 178.117 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -43.11 -60.93 1.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.311 -0.868 . . . . 0.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -52.85 -43.85 66.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -61.57 -35.24 77.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.888 -179.04 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -54.24 -59.66 4.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.07 -31.29 68.75 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -65.76 -53.41 40.84 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.636 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.53 -50.43 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.632 -0.667 . . . . 0.0 109.466 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mt -53.89 -29.16 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.17 -41.91 27.36 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -64.08 -38.0 89.48 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.445 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 77' ' ' LEU . 36.2 mt -72.21 -36.64 69.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.805 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.45 43.83 9.09 Favored Glycine 0 N--CA 1.485 1.94 0 N-CA-C 106.478 -2.649 . . . . 0.0 106.478 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.386 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.432 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 29.0 t -160.22 175.2 13.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.326 -0.859 . . . . 0.0 109.672 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.534 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 66.2 mt -143.33 161.64 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.534 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.3 m95 -145.06 160.13 41.87 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.323 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 43.4 m -147.17 160.94 41.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.954 -1.091 . . . . 0.0 110.871 -178.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -78.74 145.43 66.67 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.22 -50.82 4.23 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.696 1.597 . . . . 0.0 112.658 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.638 HE22 HG13 ' A' ' 32' ' ' VAL . 2.0 mm-40 -61.6 -25.03 67.08 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.387 -0.82 . . . . 0.0 111.185 -178.305 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -74.61 -36.19 62.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.51 -1.369 . . . . 0.0 108.88 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.0 mt -73.64 -55.27 12.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 O-C-N 121.741 -0.599 . . . . 0.0 110.212 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' PRO . 8.5 ptt? -54.27 -21.69 9.84 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.801 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.16 -18.0 50.93 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.11 27.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.136 -0.978 . . . . 0.0 109.898 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 28' ' ' MET . 22.2 m-20 -65.91 159.62 25.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.95 -1.093 . . . . 0.0 108.779 179.113 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -27.05 1.48 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.486 ' H ' ' C ' ' A' ' 26' ' ' ASP . 11.7 mmt -94.8 140.37 22.52 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.594 -0.944 . . . . 0.0 109.382 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 28' ' ' MET . 89.3 Cg_exo -44.79 179.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.899 1.733 . . . . 0.0 112.568 179.307 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.96 35.13 3.21 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -146.08 143.61 29.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.546 -0.973 . . . . 0.0 108.872 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.638 HG13 HE22 ' A' ' 20' ' ' GLN . 5.5 t -53.7 -50.16 52.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.221 -0.924 . . . . 0.0 109.43 -179.824 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.32 80.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.116 -0.99 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.35 -39.21 28.29 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.89 -53.87 36.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.247 -1.149 . . . . 0.0 108.166 179.036 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.522 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 60.4 m-70 -55.16 -22.98 19.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.242 -0.911 . . . . 0.0 109.259 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.54 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.0 t80 -63.09 -76.48 0.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.322 -0.861 . . . . 0.0 108.906 179.298 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -53.78 -36.05 61.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.61 -49.38 62.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.16 -0.963 . . . . 0.0 110.403 -178.833 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 12.7 p30 -74.98 -43.1 55.92 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.079 -1.013 . . . . 0.0 109.739 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.34 -41.67 91.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.339 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 1.088 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 21.1 mt-30 -87.18 -33.61 19.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.305 -0.872 . . . . 0.0 109.633 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 84.29 54.5 2.98 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.088 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 41.7 m0 -65.86 147.77 52.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -1.177 . . . . 0.0 109.799 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m -71.32 154.89 41.26 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 176.519 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -141.37 131.67 25.05 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.632 -1.293 . . . . 0.0 112.405 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.83 134.15 47.62 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.18 128.18 34.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.315 -0.866 . . . . 0.0 110.7 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 50' ' ' GLU . 67.2 tttt -99.03 147.97 24.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.419 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' VAL . 6.2 mm-40 -129.38 -40.22 1.45 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -178.581 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.29 -39.26 0.02 OUTLIER Glycine 0 N--CA 1.504 3.177 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' GLU . 60.3 t -93.83 140.57 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.373 -1.075 . . . . 0.0 108.868 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -172.94 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 108.381 179.561 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 87.12 -37.87 3.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.51 -27.16 0.47 Allowed Glycine 0 N--CA 1.491 2.35 0 O-C-N 121.092 -1.24 . . . . 0.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 54' ' ' GLY . 23.5 mtpp -70.22 -17.87 63.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.312 . . . . 0.0 109.357 -179.738 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.17 130.98 7.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.31 -0.869 . . . . 0.0 110.216 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.4 p -146.36 126.84 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.905 . . . . 0.0 109.685 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -93.35 166.94 12.05 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.122 -0.986 . . . . 0.0 109.316 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -121.93 149.81 42.89 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD1' ' CE2' ' A' ' 16' ' ' TRP . 2.9 t70 -78.99 120.81 24.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 111.105 -177.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 53.8 t -64.61 -29.86 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.552 -0.717 . . . . 0.0 109.097 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.3 mmt -74.66 -7.22 52.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.52 -0.737 . . . . 0.0 110.486 -178.823 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.6 p -98.11 -7.31 29.84 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.483 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.476 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 23.1 mmt -73.14 151.3 90.25 Favored Pre-proline 0 N--CA 1.487 1.407 0 O-C-N 121.71 -0.619 . . . . 0.0 109.709 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.33 145.65 0.87 Allowed 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.577 1.518 . . . . 0.0 111.133 178.41 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.9 m -47.53 -57.57 5.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.985 -1.072 . . . . 0.0 109.358 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' OE2' ' A' ' 71' ' ' GLU . 63.4 mmtt -51.26 -46.2 62.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.203 -0.936 . . . . 0.0 109.002 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.94 -32.15 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.501 -0.75 . . . . 0.0 110.44 -178.966 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -56.98 -64.13 0.98 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.763 -1.211 . . . . 0.0 110.061 -179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 72' ' ' GLN . 2.4 pp20? -58.52 -27.28 64.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 108.357 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 9.0 tp-100 -66.65 -53.91 28.93 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.878 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.65 -49.03 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.519 -0.738 . . . . 0.0 109.84 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.425 HG23 ' HB2' ' A' ' 79' ' ' LEU . 68.7 mt -52.26 -39.83 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.909 -1.119 . . . . 0.0 108.224 179.705 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.58 -40.18 76.87 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.713 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.15 -38.69 91.98 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -71.02 -36.34 72.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.34 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.36 35.89 11.52 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.425 ' HB2' HG23 ' A' ' 74' ' ' ILE . 16.5 mt . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.963 . . . . 0.0 109.403 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 pttt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -160.95 175.94 11.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.099 -1.001 . . . . 0.0 110.215 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 16' ' ' TRP . 75.1 mt -140.39 163.34 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.06 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.613 ' CD1' ' NH2' ' A' ' 47' ' ' ARG . 13.1 m95 -148.39 156.92 43.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.765 -0.584 . . . . 0.0 109.543 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.5 m -150.98 157.14 42.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.176 -0.953 . . . . 0.0 111.104 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -80.17 156.21 74.27 Favored Pre-proline 0 C--N 1.304 -1.408 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.34 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.55 -38.22 83.47 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.973 1.782 . . . . 0.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.09 -35.65 71.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.065 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -75.09 -38.52 61.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.836 -1.165 . . . . 0.0 108.67 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.56 -57.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.767 -0.583 . . . . 0.0 110.343 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -50.44 -25.73 4.27 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.07 -12.34 60.01 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.62 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.7 165.8 24.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 109.483 -179.672 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.532 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -66.04 -82.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.271 -0.893 . . . . 0.0 111.599 -179.054 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.515 ' H ' ' HG2' ' A' ' 72' ' ' GLN . . . -49.98 -4.22 0.04 OUTLIER Glycine 0 N--CA 1.496 2.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.532 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.5 mmt -97.28 143.31 25.93 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.032 -1.275 . . . . 0.0 110.786 -179.088 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' MET . 71.6 Cg_exo -45.67 177.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 121.831 1.687 . . . . 0.0 112.017 178.447 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.95 30.65 5.42 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -146.78 140.84 26.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.313 -1.11 . . . . 0.0 109.173 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.2 t -55.88 -38.69 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.15 -0.969 . . . . 0.0 109.368 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.22 -43.03 71.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.781 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.16 -32.47 20.85 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -58.91 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.11 -1.229 . . . . 0.0 108.876 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -53.36 -27.11 21.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.493 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.406 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 31.6 t80 -57.61 -76.11 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.669 HH21 HE22 ' A' ' 42' ' ' GLN . 52.7 mtp180 -47.71 -47.99 29.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -0.907 . . . . 0.0 109.895 179.279 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.65 -32.05 49.96 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 111.153 -178.736 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.434 ' CG ' ' N ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -77.1 -48.6 17.33 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.772 -1.205 . . . . 0.0 109.328 -179.144 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' ASN . 2.7 p -76.94 -32.47 19.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.985 -178.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.669 HE22 HH21 ' A' ' 38' ' ' ARG . 53.6 mt-30 -85.14 -25.26 27.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.936 -1.103 . . . . 0.0 109.494 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.5 54.02 8.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -66.96 145.67 55.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -1.157 . . . . 0.0 110.053 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.3 m -72.68 146.69 46.34 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.089 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -140.31 133.3 29.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.769 -1.207 . . . . 0.0 112.403 -178.239 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.613 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 17.6 ttm180 -98.6 125.43 43.86 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.364 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -74.23 122.58 23.05 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.3 -0.875 . . . . 0.0 110.683 -178.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -71.15 170.01 13.87 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.309 -0.87 . . . . 0.0 108.782 178.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -132.28 -57.82 0.95 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.232 -0.917 . . . . 0.0 110.976 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.39 -8.26 24.23 Favored Glycine 0 N--CA 1.496 2.655 0 O-C-N 121.346 -0.846 . . . . 0.0 112.283 -177.652 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 53' ' ' LYS . 93.6 t -90.31 132.34 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.536 -1.567 . . . . 0.0 110.459 -179.268 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLY . 35.3 mttp -54.44 -167.49 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.295 -0.878 . . . . 0.0 109.868 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.37 -37.79 0.12 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.098 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 73.81 -33.11 0.88 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 54' ' ' GLY . 12.3 mttp -68.78 -13.38 62.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -1.092 . . . . 0.0 108.931 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.41 113.7 1.38 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 111.328 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' LYS . 30.2 m -133.46 136.32 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.662 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.8 169.42 10.16 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.851 -1.155 . . . . 0.0 108.893 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -122.32 146.87 46.91 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -78.1 112.24 14.84 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.24 -0.913 . . . . 0.0 111.049 -178.508 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.97 -27.79 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.57 -4.24 29.5 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.64 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.1 p -103.02 -18.66 14.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.25 -0.906 . . . . 0.0 109.298 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.48 159.21 85.68 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.029 . . . . 0.0 109.337 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -40.2 142.43 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.43 2.086 . . . . 0.0 112.024 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 m -47.81 -56.23 7.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.138 -0.976 . . . . 0.0 109.276 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -50.64 -45.22 57.67 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 108.91 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -64.3 -32.28 73.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.333 -0.854 . . . . 0.0 110.317 -179.109 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -54.81 -59.94 4.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.768 -1.207 . . . . 0.0 109.168 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.21 -29.17 69.66 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HG2' ' H ' ' A' ' 27' ' ' GLY . 41.9 tp60 -65.14 -55.44 18.68 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 108.844 179.193 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.07 -48.52 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.731 -0.606 . . . . 0.0 109.618 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 mt -55.25 -32.68 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.3 -42.45 54.66 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.74 -36.18 80.26 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.185 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -74.0 -38.9 63.96 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.168 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.66 34.49 10.15 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.403 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.498 1.935 0 O-C-N 121.316 -1.108 . . . . 0.0 109.073 179.883 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 tttp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -163.54 172.93 13.7 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.338 -0.851 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 16' ' ' TRP . 74.7 mt -143.23 161.3 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.899 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.538 ' N ' HG22 ' A' ' 15' ' ' ILE . 17.4 m95 -145.54 156.15 43.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 28.4 m -149.81 156.67 42.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.15 -0.969 . . . . 0.0 110.694 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 m -81.28 148.54 63.53 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.364 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.93 -47.06 4.95 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.921 1.747 . . . . 0.0 112.491 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.93 -33.48 67.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.785 -178.857 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.52 -39.25 62.49 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.781 -1.199 . . . . 0.0 108.827 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.64 -54.57 13.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.48 -0.762 . . . . 0.0 110.2 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -46.96 -27.67 1.36 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.237 -0.914 . . . . 0.0 109.404 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -9.28 59.79 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.733 -0.604 . . . . 0.0 110.23 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.45 147.71 28.58 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.784 -1.197 . . . . 0.0 109.73 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.14 153.57 33.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.282 -0.886 . . . . 0.0 108.986 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.83 52.1 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.422 ' HE1' ' OE1' ' A' ' 69' ' ' GLU . 21.4 mmt -91.73 148.38 37.07 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.071 -1.252 . . . . 0.0 110.419 -179.278 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.441 ' HD3' HH11 ' A' ' 38' ' ' ARG . 69.2 Cg_exo -37.76 -68.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 123.041 2.494 . . . . 0.0 113.17 179.462 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.5 17.73 2.59 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 5.8 p -146.38 142.11 27.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -1.044 . . . . 0.0 108.871 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.36 -52.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.991 -1.068 . . . . 0.0 109.059 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.62 88.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.166 -0.959 . . . . 0.0 108.844 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.509 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -50.74 -43.9 47.68 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 179.314 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.3 t -61.12 -49.84 83.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.041 -1.27 . . . . 0.0 108.078 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -56.66 -23.24 40.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 109.241 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 19.8 t80 -61.35 -77.24 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.342 -0.849 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 5.0 ptm180 -60.14 -30.46 69.31 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.748 -1.22 . . . . 0.0 110.656 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.76 43.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.745 -1.222 . . . . 0.0 111.627 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.533 ' OD1' ' O ' ' A' ' 37' ' ' TYR . 44.1 p-10 -73.58 -30.45 63.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.912 -1.117 . . . . 0.0 110.201 -178.709 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 73.2 t -76.07 -34.19 26.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.457 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.95 -35.22 19.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.214 -0.929 . . . . 0.0 109.797 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.78 51.22 1.69 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -66.57 141.61 57.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.443 -1.034 . . . . 0.0 109.485 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.2 m -74.22 115.13 13.37 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -105.22 136.94 43.81 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.274 1.035 . . . . 0.0 112.53 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -104.0 136.53 43.47 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -70.61 132.03 44.85 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.112 -0.993 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -108.44 145.05 35.22 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.244 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' VAL . 18.3 mt-10 -130.27 -41.59 1.24 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.294 -0.878 . . . . 0.0 110.396 -178.537 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.74 -35.34 0.02 OUTLIER Glycine 0 N--CA 1.503 3.13 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' GLU . 10.9 t -91.3 143.59 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.317 -1.107 . . . . 0.0 108.993 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 52' ' ' VAL . 34.3 mttp -52.19 -171.64 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.83 0.824 . . . . 0.0 110.643 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.34 -45.3 0.61 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.37 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.88 -22.81 2.75 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.523 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.0 mtpp -69.21 -11.22 60.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.353 -1.086 . . . . 0.0 108.851 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 137.86 58.19 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.657 0.742 . . . . 0.0 110.642 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -144.74 138.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.649 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -94.38 168.85 10.62 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.991 -1.068 . . . . 0.0 109.319 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -122.16 145.3 48.32 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -77.92 113.48 15.86 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.93 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 47.6 t -60.67 -22.31 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.452 -0.78 . . . . 0.0 109.14 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mmt -77.18 -2.2 33.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.423 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.35 -17.02 14.58 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.33 -0.856 . . . . 0.0 108.903 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 mtm -72.33 148.23 90.8 Favored Pre-proline 0 N--CA 1.487 1.376 0 O-C-N 121.067 -1.021 . . . . 0.0 109.445 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -36.5 138.8 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.279 0 C-N-CA 122.609 2.206 . . . . 0.0 112.121 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -42.38 -56.88 2.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.433 -0.792 . . . . 0.0 109.987 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -52.97 -48.14 67.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.274 -0.892 . . . . 0.0 109.193 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 47.4 mt-10 -58.56 -39.93 81.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.815 -179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -53.07 -43.38 66.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 108.871 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -60.41 -41.84 94.74 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.779 -0.576 . . . . 0.0 109.68 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -64.33 -44.75 90.53 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.89 -179.833 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.7 t -70.41 -51.47 37.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.82 -41.53 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 0.0 108.892 179.574 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.16 -41.12 62.01 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.808 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -61.25 -37.31 82.65 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.355 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.07 -46.07 53.74 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.643 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.39 30.93 5.73 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 179.338 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.498 1.946 0 O-C-N 120.857 -1.378 . . . . 0.0 108.111 179.061 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -160.28 172.89 16.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.251 -0.905 . . . . 0.0 109.559 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 16' ' ' TRP . 65.3 mt -142.48 161.99 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.427 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.532 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.9 m95 -146.75 153.47 40.26 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.272 0.558 . . . . 0.0 109.498 -179.242 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 11.6 m -149.34 154.82 39.55 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.278 -0.889 . . . . 0.0 111.018 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 m -83.41 147.86 54.07 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -40.6 -42.21 3.96 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.113 1.875 . . . . 0.0 112.822 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -56.0 -35.71 67.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.366 -0.834 . . . . 0.0 110.271 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -77.98 -38.16 45.73 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.018 -1.051 . . . . 0.0 108.843 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.6 mt -75.38 -54.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.662 -0.649 . . . . 0.0 110.023 -179.81 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -52.62 -27.88 18.95 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.246 -0.909 . . . . 0.0 108.947 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.73 59.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.647 -0.658 . . . . 0.0 109.403 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.01 149.1 29.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.085 -1.01 . . . . 0.0 109.895 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.95 152.48 43.15 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.11 -0.994 . . . . 0.0 109.329 179.635 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.46 -27.17 3.75 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' PRO . 24.6 mmt -93.86 139.25 22.62 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.609 -0.936 . . . . 0.0 109.589 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.435 ' O ' ' O ' ' A' ' 28' ' ' MET . 85.8 Cg_exo -42.78 172.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.839 1.692 . . . . 0.0 112.109 178.897 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.7 35.89 3.9 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -147.24 142.37 27.15 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.406 -1.055 . . . . 0.0 109.128 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.05 -50.34 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.07 -1.019 . . . . 0.0 109.237 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.66 86.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.95 -1.093 . . . . 0.0 108.955 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -36.89 28.65 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.071 -1.611 . . . . 0.0 109.071 179.368 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -66.15 -56.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.122 -1.222 . . . . 0.0 108.528 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.533 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 78.6 m-70 -49.42 -28.29 5.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.165 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.526 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.2 t80 -59.61 -75.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.577 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -53.95 -31.73 51.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.38 -0.825 . . . . 0.0 109.795 179.354 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.9 -52.94 63.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 110.899 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 9.9 p30 -73.6 -42.58 61.34 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.165 -0.959 . . . . 0.0 109.882 -179.15 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.24 -42.67 80.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.605 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -88.77 -37.98 15.04 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.254 -0.904 . . . . 0.0 110.079 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.29 52.69 1.56 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.6 m0 -65.88 144.86 56.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -1.082 . . . . 0.0 110.063 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.2 m -73.34 147.01 44.81 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 177.021 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -139.1 130.53 27.06 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 122.546 1.165 . . . . 0.0 111.313 -178.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -101.07 118.81 37.74 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -70.88 116.89 11.71 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.397 -178.18 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 57' ' ' ALA . 20.2 tttt -94.48 149.5 21.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 52' ' ' VAL . 41.9 mt-10 -126.02 -41.01 1.97 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.252 -0.905 . . . . 0.0 110.166 -178.761 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.34 -35.94 0.01 OUTLIER Glycine 0 N--CA 1.502 3.07 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -178.81 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLU . 16.8 t -89.12 146.69 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.123 -1.222 . . . . 0.0 108.981 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' A' ' 55' ' ' GLY . 17.7 mttp -54.43 -171.43 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.824 0.821 . . . . 0.0 110.162 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.53 -32.84 0.46 Allowed Glycine 0 N--CA 1.482 1.736 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.908 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 70.15 -36.17 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 -179.573 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.1 mttt -61.5 -1.13 0.49 Allowed 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.247 -1.149 . . . . 0.0 108.884 179.648 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -61.38 110.69 1.51 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 110.874 -178.917 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 58' ' ' VAL . 10.8 m -140.04 126.76 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.318 -0.864 . . . . 0.0 108.818 178.472 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 26.3 mp0 -97.63 168.3 10.43 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.257 -0.902 . . . . 0.0 110.499 -179.163 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -112.96 148.5 34.9 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.638 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -78.28 120.96 23.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 111.068 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.21 -25.29 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 121.706 0.765 . . . . 0.0 109.109 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.3 mmt -74.8 -4.85 40.14 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.742 -0.599 . . . . 0.0 110.231 -178.576 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.44 -7.87 20.61 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.07 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.503 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 20.0 mmt -73.21 150.83 89.96 Favored Pre-proline 0 C--N 1.304 -1.406 0 O-C-N 121.462 -0.773 . . . . 0.0 110.073 -179.217 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.31 144.69 1.08 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 121.543 1.495 . . . . 0.0 110.885 177.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.443 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 61.4 m -47.4 -58.81 3.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.83 -1.169 . . . . 0.0 109.772 -179.64 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -50.18 -44.13 52.7 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 0.0 109.208 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.87 -36.07 82.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 0.0 110.285 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.443 ' HE ' ' HA ' ' A' ' 67' ' ' THR . 16.2 mtm180 -54.47 -57.54 10.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.925 -1.11 . . . . 0.0 109.865 -179.12 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.79 -38.07 86.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.73 -49.31 73.54 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.208 -0.997 . . . . 0.0 108.769 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.68 -51.67 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.499 -0.75 . . . . 0.0 109.04 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.8 mt -53.89 -31.24 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.49 -43.31 23.42 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.867 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.9 -38.24 87.64 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.139 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.65 -36.61 73.49 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.928 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.75 26.77 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.437 -1.037 . . . . 0.0 109.503 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 tttp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.485 0.66 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 t -160.69 173.53 15.31 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 109.265 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.3 mt -142.18 162.47 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.3 m95 -147.49 154.06 40.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.759 -0.588 . . . . 0.0 109.657 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 37.2 m -151.45 158.3 43.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.745 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -81.35 144.36 53.52 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -39.71 -44.6 3.41 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.089 1.859 . . . . 0.0 112.738 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.41 -31.41 63.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.329 -0.857 . . . . 0.0 110.292 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.3 -40.49 51.42 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 108.825 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.32 -54.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.564 -0.71 . . . . 0.0 110.263 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -50.5 -27.33 6.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 0.0 109.2 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.34 -8.11 59.69 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 109.929 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.56 152.22 27.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.813 -1.18 . . . . 0.0 110.042 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.03 158.51 25.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.963 -1.086 . . . . 0.0 108.844 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . . . 78.54 -17.47 6.59 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.7 mmt -89.49 150.27 44.13 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 120.969 -1.312 . . . . 0.0 109.835 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -36.81 -65.67 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.885 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.17 18.01 4.33 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -145.88 145.56 30.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -1.029 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -54.48 -48.03 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.125 -0.984 . . . . 0.0 109.202 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.77 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.156 -0.965 . . . . 0.0 109.171 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.27 -43.03 42.55 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.36 -51.45 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.023 -1.281 . . . . 0.0 108.517 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.58 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 45.3 m-70 -53.14 -28.71 27.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.288 -0.883 . . . . 0.0 109.2 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.51 -73.7 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.043 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 43.8 mtp180 -54.74 -36.51 64.87 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.506 -0.746 . . . . 0.0 109.899 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.72 -57.59 7.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.381 -0.824 . . . . 0.0 111.398 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.58 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.48 -36.4 65.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.923 -1.11 . . . . 0.0 109.559 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.1 t -70.43 -42.0 78.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.218 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.487 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 75.7 mt-30 -85.41 -23.3 27.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.138 -0.976 . . . . 0.0 109.972 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 49.63 5.12 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -66.61 143.34 57.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.273 -1.133 . . . . 0.0 109.78 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 m -73.86 154.51 39.43 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -143.55 133.58 24.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.74 -1.225 . . . . 0.0 112.613 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 3.4 tpp180 -98.39 112.09 24.22 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.09 118.69 14.2 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.86 165.28 24.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.5 mt-10 -131.28 -54.72 1.03 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.325 -0.86 . . . . 0.0 110.011 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.27 -16.44 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 O-C-N 121.503 -0.748 . . . . 0.0 111.246 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 45.6 t -88.07 137.26 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.701 -1.47 . . . . 0.0 110.268 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' A' ' 55' ' ' GLY . 37.3 mttp -50.12 169.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.988 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.59 -30.39 0.17 Allowed Glycine 0 N--CA 1.489 2.216 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.316 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 65.11 -10.02 0.42 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.57 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.1 mtpp -73.42 -18.15 61.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 108.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.22 124.17 19.81 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.527 -0.733 . . . . 0.0 110.589 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 56' ' ' LYS . 13.2 m -139.5 138.86 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -92.76 166.13 12.6 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.137 -0.977 . . . . 0.0 108.805 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -118.18 150.59 39.14 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.4 106.85 9.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 110.442 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.18 -26.28 38.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.6 mmm -74.51 -2.54 26.19 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.765 . . . . 0.0 108.978 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.0 p -108.16 -12.51 15.09 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.469 -0.769 . . . . 0.0 109.3 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -72.83 153.84 91.15 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.936 -1.102 . . . . 0.0 109.31 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' THR . 65.6 Cg_exo -39.26 136.97 0.86 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.198 1.932 . . . . 0.0 111.613 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PRO . 74.6 m -43.85 -54.35 5.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.488 -0.758 . . . . 0.0 109.724 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -53.22 -49.82 65.99 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.003 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 27' ' ' GLY . 39.5 mm-40 -57.97 -42.35 84.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.458 -0.776 . . . . 0.0 110.148 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -50.54 -45.63 56.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.047 -1.033 . . . . 0.0 109.605 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -60.91 -38.68 86.57 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.411 -0.806 . . . . 0.0 109.293 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -63.98 -44.83 91.52 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.241 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.7 t -71.35 -54.44 17.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.618 HG23 ' H ' ' A' ' 80' ' ' SER . 1.6 mp -54.5 -38.47 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.92 -1.112 . . . . 0.0 108.374 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.87 60.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.102 -0.998 . . . . 0.0 108.692 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -63.01 -38.45 91.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.17 -37.58 66.5 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.73 38.82 8.5 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -95.49 -85.33 0.32 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.515 -0.991 . . . . 0.0 109.775 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.618 ' H ' HG23 ' A' ' 74' ' ' ILE . 4.9 p 61.55 -152.21 0.37 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.514 -0.741 . . . . 0.0 109.344 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.4 ' N ' ' OG ' ' A' ' 80' ' ' SER . 28.7 p . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.656 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.45 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.518 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.656 0 O4'-C1'-N19 110.413 3.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.575 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.655 3.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.575 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.639 1 O4'-C1'-N19 111.373 4.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.479 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.549 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.672 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.549 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.5 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.664 1 O4'-C1'-N19 111.146 4.183 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.55 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.093 1 O4'-C1'-N19 111.188 4.235 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.574 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.53 1 O4'-C1'-N19 111.602 4.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.574 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.692 3.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.523 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.638 1 O4'-C1'-N19 111.9 5.125 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.523 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.359 4.449 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.503 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.302 0 O4'-C1'-N19 110.846 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.473 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 111.413 4.517 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.69 3.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.674 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.781 0 C3'-C2'-C1' 106.888 2.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.674 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.986 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.442 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.543 1 O4'-C1'-N19 111.538 4.673 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.442 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.927 5.159 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.435 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.118 1 O4'-C1'-N19 111.138 4.173 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.564 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.093 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.564 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.275 4.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.453 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.96 3.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.879 1 O4'-C1'-N19 111.387 4.484 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.594 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.594 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.278 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.448 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.541 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.784 0 O4'-C1'-N19 110.568 3.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.541 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.453 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.693 1 O4'-C1'-N19 111.098 4.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 0 O4'-C1'-N19 110.724 3.655 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.228 0.537 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.8 t -160.15 173.36 15.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.249 -0.907 . . . . 0.0 109.54 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 16' ' ' TRP . 74.9 mt -141.13 160.91 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.515 ' N ' HG22 ' A' ' 15' ' ' ILE . 13.5 m95 -146.62 157.55 43.74 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.6 m -148.88 156.6 42.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.143 -0.973 . . . . 0.0 110.869 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 161.63 71.2 Favored Pre-proline 0 C--N 1.301 -1.524 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.6 -46.08 32.46 Favored 'Trans proline' 0 C--N 1.299 -2.067 0 C-N-CA 122.014 1.809 . . . . 0.0 111.534 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.31 -26.2 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 110.784 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.98 -40.13 47.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.759 -1.213 . . . . 0.0 109.47 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.9 mt -73.92 -50.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.512 -0.742 . . . . 0.0 110.332 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -27.28 28.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 0.0 108.761 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.96 57.79 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.96 149.21 30.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.896 -1.127 . . . . 0.0 109.39 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.8 m-20 -65.04 156.14 32.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.764 -1.21 . . . . 0.0 108.69 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.86 -23.7 2.52 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 29' ' ' PRO . 13.8 mmt -94.03 143.76 26.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.263 -1.14 . . . . 0.0 109.835 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.5 Cg_exo -41.87 169.72 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 121.969 1.779 . . . . 0.0 112.24 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.2 28.83 6.42 Favored Glycine 0 N--CA 1.499 2.849 0 N-CA-C 108.606 -1.797 . . . . 0.0 108.606 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -145.23 133.7 21.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.525 -0.985 . . . . 0.0 108.785 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 32' ' ' VAL . 7.6 t -49.77 -46.61 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.036 -1.04 . . . . 0.0 109.197 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.93 77.28 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.977 -1.077 . . . . 0.0 108.688 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -31.55 71.13 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.76 -51.62 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.39 -1.065 . . . . 0.0 108.906 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.546 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 91.7 m-70 -63.93 -19.99 65.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.264 -0.897 . . . . 0.0 109.54 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -62.05 -74.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.287 -0.883 . . . . 0.0 109.062 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.47 -38.26 68.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 0.0 109.945 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -52.59 -47.43 66.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.137 -0.977 . . . . 0.0 110.545 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 14.6 p30 -74.03 -46.58 42.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.174 -0.953 . . . . 0.0 109.544 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.1 t -64.47 -42.46 95.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.683 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 15.9 mt-30 -87.73 -28.21 21.89 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.299 -0.876 . . . . 0.0 110.0 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 79.3 60.35 2.54 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.322 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.503 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 45.3 m0 -68.4 139.99 55.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.18 -1.188 . . . . 0.0 109.352 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.403 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 1.3 m -71.12 114.51 9.25 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -102.18 137.19 40.77 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 122.506 1.146 . . . . 0.0 113.98 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 6.0 ttm-85 -96.11 140.61 30.58 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 175.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -77.69 117.8 19.45 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.108 -0.995 . . . . 0.0 110.237 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HZ2' ' CB ' ' A' ' 49' ' ' LYS . 5.3 ttpm? -96.97 145.9 25.48 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' VAL . 26.6 mt-10 -130.95 -42.87 1.09 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.24 -0.913 . . . . 0.0 110.768 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -33.78 -29.0 0.01 OUTLIER Glycine 0 N--CA 1.501 2.993 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 50' ' ' GLU . 72.5 t -89.81 124.07 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.167 -1.196 . . . . 0.0 109.598 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.01 121.97 12.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.115 -0.991 . . . . 0.0 108.569 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 153.98 -29.12 0.73 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.38 -34.62 0.55 Allowed Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.245 -1.15 . . . . 0.0 110.279 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.3 mtpp -73.49 -3.95 30.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.255 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.93 123.92 20.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 111.436 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.7 m -145.51 133.3 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -93.37 176.75 6.27 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.125 -0.984 . . . . 0.0 109.101 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -130.88 143.64 50.88 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.217 -0.927 . . . . 0.0 109.942 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 33.6 t0 -78.53 114.45 17.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.62 -0.675 . . . . 0.0 111.173 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 -24.83 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.431 -0.793 . . . . 0.0 109.079 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.25 -0.76 8.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 108.77 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 p -107.35 -9.41 16.04 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.648 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.84 152.37 96.05 Favored Pre-proline 0 C--N 1.307 -1.249 0 O-C-N 121.397 -0.815 . . . . 0.0 109.882 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -42.17 145.36 0.87 Allowed 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.747 1.631 . . . . 0.0 111.289 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -46.59 -59.85 2.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.172 -0.955 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -51.63 -44.89 63.08 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.328 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.77 -38.14 84.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.314 -0.866 . . . . 0.0 109.961 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -51.21 -63.01 1.27 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.912 -1.117 . . . . 0.0 109.406 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.58 -53.36 43.03 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -70.93 -51.56 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.32 -28.61 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.027 -1.046 . . . . 0.0 108.188 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.89 -39.04 24.44 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 119.473 -0.891 . . . . 0.0 108.84 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.89 -43.44 65.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 79' ' ' LEU . . . 105.96 23.29 7.49 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.593 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.7 mp -92.8 -20.25 20.92 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.125 -1.221 . . . . 0.0 108.284 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 p -45.43 153.27 0.24 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.83 -0.544 . . . . 0.0 109.715 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.438 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.537 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.72 0 C3'-C2'-C1' 107.082 3.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.424 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.046 4.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.456 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.483 3.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.458 H2'' " O5'" ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.458 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 O4'-C1'-N19 110.562 3.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.494 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.109 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.416 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.612 1 O4'-C1'-N19 111.092 4.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.574 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.91 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.574 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.919 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.466 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.482 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.866 1 O4'-C1'-N19 111.863 5.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.527 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.053 1 O4'-C1'-N19 111.742 4.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.429 0 O4'-C1'-N19 110.667 3.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.477 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.507 0 O4'-C1'-N19 110.768 3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.649 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 C3'-C2'-C1' 107.106 3.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.649 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.453 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 111.742 4.928 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.453 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.556 4.695 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 1 O4'-C1'-N19 111.335 4.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.691 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.407 4.508 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.691 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.642 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.424 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.845 0 O4'-C1'-N19 110.356 3.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.424 " O4'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.549 4.741 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.627 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.122 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.627 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.347 4.434 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.509 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.427 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.47 0 O4'-C1'-N19 110.478 3.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.482 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C1'-N19 110.943 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.482 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.911 1 O4'-C1'-N19 111.487 4.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 pttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -160.52 179.93 8.19 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 109.66 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 16' ' ' TRP . 82.3 mt -140.68 162.38 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.561 ' N ' HG22 ' A' ' 15' ' ' ILE . 17.4 m95 -145.65 153.55 41.15 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.327 0.584 . . . . 0.0 109.492 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.5 m -146.76 154.92 41.96 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.401 -0.812 . . . . 0.0 110.316 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 m -80.87 149.43 67.13 Favored Pre-proline 0 N--CA 1.49 1.554 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -41.3 -44.89 5.73 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.853 1.702 . . . . 0.0 112.126 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.69 -33.94 68.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.536 -0.728 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -37.63 56.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.794 -1.191 . . . . 0.0 108.557 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ALA . 93.7 mt -75.78 -57.11 6.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.479 -0.763 . . . . 0.0 110.033 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.0 ptm -49.22 -26.73 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.105 . . . . 0.0 108.736 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.17 -14.13 56.11 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.041 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -81.61 148.26 29.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.884 -1.135 . . . . 0.0 109.072 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.35 158.55 20.2 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.001 -1.062 . . . . 0.0 109.321 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 -15.94 14.58 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.3 mmt -92.43 149.92 39.11 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.131 -1.217 . . . . 0.0 110.403 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -36.99 -63.13 0.23 Allowed 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.706 2.271 . . . . 0.0 112.744 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.38 6.0 Favored Glycine 0 N--CA 1.499 2.88 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -145.72 142.64 29.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.334 -1.098 . . . . 0.0 109.074 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.18 -48.89 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.045 -1.034 . . . . 0.0 108.706 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.36 75.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.059 -1.026 . . . . 0.0 108.589 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.87 -38.68 46.49 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.553 -1.819 . . . . 0.0 108.553 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.05 -55.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.318 -1.107 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.485 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 76.5 m-70 -53.31 -29.77 35.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.459 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.3 t80 -59.1 -76.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.434 -0.791 . . . . 0.0 108.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -53.63 -33.31 54.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 110.054 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -51.56 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 111.026 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.3 p30 -73.23 -41.81 63.32 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 109.995 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.67 -41.33 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.516 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -87.98 -39.11 14.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.439 -0.788 . . . . 0.0 109.836 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 52.99 1.53 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -66.46 147.16 53.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -1.13 . . . . 0.0 110.32 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -75.08 139.86 43.08 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -132.72 134.15 44.41 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 122.782 1.277 . . . . 0.0 111.556 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.03 118.82 35.48 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 10.4 ttpp -72.13 103.94 3.46 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 9.8 mtpp -78.81 155.66 29.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.069 -1.02 . . . . 0.0 109.075 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.3 mm-40 -131.15 -58.85 1.0 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.16 -16.82 0.04 OUTLIER Glycine 0 N--CA 1.495 2.617 0 O-C-N 121.515 -0.741 . . . . 0.0 111.269 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 5.6 t -87.67 141.39 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.794 -1.415 . . . . 0.0 109.94 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.45 169.9 0.12 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.638 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 84.8 -29.45 4.14 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 67.82 -44.22 0.29 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' GLY . 10.5 mttp -64.38 3.01 0.51 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.432 -1.04 . . . . 0.0 109.036 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -47.28 111.34 0.4 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 111.088 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 56' ' ' LYS . 50.4 t -135.6 110.45 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 1.4 mp0 -94.34 170.42 9.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.976 -1.077 . . . . 0.0 109.738 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.81 147.83 45.45 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 109.49 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.5 112.12 16.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.421 -0.8 . . . . 0.0 110.681 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.76 -27.75 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.377 -0.827 . . . . 0.0 108.907 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.2 mmm -73.64 -4.16 32.57 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.418 -0.801 . . . . 0.0 109.793 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 p -102.72 -11.57 18.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.954 . . . . 0.0 109.159 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtm -75.44 154.22 85.83 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.914 -1.116 . . . . 0.0 109.45 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' THR . 91.0 Cg_exo -41.0 138.38 1.66 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.816 1.677 . . . . 0.0 110.835 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' PRO . 4.4 m -41.29 -59.95 1.4 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.338 -0.851 . . . . 0.0 110.282 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.28 -52.52 35.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.101 -0.999 . . . . 0.0 108.636 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.59 -48.51 81.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.437 -0.789 . . . . 0.0 109.058 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -53.3 56.46 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.46 -33.64 76.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.858 -1.152 . . . . 0.0 108.713 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.37 -45.45 87.68 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.08 -53.39 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.446 -0.784 . . . . 0.0 108.908 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' GLY . 96.6 mt -53.13 -37.66 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.99 67.13 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -62.33 -37.76 86.87 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 79' ' ' LEU . 79.3 mt -72.82 -36.52 67.55 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 80.49 37.53 20.24 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 77' ' ' LEU . 3.8 mp -98.11 -89.13 0.3 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.653 -0.91 . . . . 0.0 108.722 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.454 ' H ' HG23 ' A' ' 74' ' ' ILE . 7.5 t 52.61 -156.89 0.15 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.676 -0.64 . . . . 0.0 109.504 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.379 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.682 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 O4'-C1'-N19 110.416 3.271 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.589 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.054 4.067 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.589 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 110.591 3.489 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.494 ' H71' " H2'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.693 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.477 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.743 0 O4'-C1'-N19 110.874 3.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.605 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.342 4.428 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.605 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 C3'-C2'-C1' 107.054 3.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.546 ' C2 ' ' N2 ' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.407 4.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-N19 111.702 4.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.62 4.776 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.541 ' C6 ' ' C6 ' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.918 1 O4'-C1'-N19 111.04 4.05 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.557 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.974 1 O4'-C1'-N19 112.371 5.713 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.557 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.054 1 O4'-C1'-N19 111.911 5.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.509 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.403 0 O4'-C1'-N19 110.772 3.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.61 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 C3'-C2'-C1' 107.158 3.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.61 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.926 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.53 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 112.046 5.308 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.53 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.077 1 O4'-C1'-N19 111.849 5.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.485 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.148 4.185 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.565 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.109 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.565 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.823 5.028 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.55 H2'' " O5'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.277 1 O4'-C1'-N19 111.558 4.698 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.55 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.653 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.653 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.177 1 O4'-C1'-N19 111.077 4.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.433 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.694 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.556 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.556 3.445 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.556 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.171 4.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 1 O4'-C1'-N19 111.25 4.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 0 O4'-C1'-N19 110.755 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.313 0.577 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.3 t -160.31 175.43 12.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.3 -0.875 . . . . 0.0 109.65 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.545 HG22 ' N ' ' A' ' 16' ' ' TRP . 70.7 mt -139.53 164.5 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.545 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.7 m95 -148.91 154.79 39.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.667 -0.646 . . . . 0.0 109.432 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -148.89 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.39 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.3 m -79.38 148.26 70.05 Favored Pre-proline 0 C--N 1.302 -1.469 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -40.8 -50.45 3.99 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.847 1.698 . . . . 0.0 112.423 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -57.52 -27.23 62.4 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.468 -0.77 . . . . 0.0 111.528 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.35 -41.2 41.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.669 -1.269 . . . . 0.0 109.764 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.4 mt -73.86 -50.98 26.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.14 29.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 0.0 108.759 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -15.16 57.57 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.818 -0.551 . . . . 0.0 109.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 148.23 32.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.83 -1.169 . . . . 0.0 109.802 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.29 151.73 42.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.046 -1.033 . . . . 0.0 108.871 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.53 -24.78 4.12 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' PRO . 13.3 mmt -94.46 145.2 29.25 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.345 -1.091 . . . . 0.0 109.678 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' MET . 80.5 Cg_exo -43.3 174.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.108 1.872 . . . . 0.0 112.556 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.24 34.71 3.58 Favored Glycine 0 N--CA 1.499 2.868 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.44 ' OG ' ' C7 ' ' B' ' 105' ' ' ' DT' . 36.4 t -146.7 144.54 29.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -1.041 . . . . 0.0 109.474 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.8 t -56.3 -51.2 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.046 -1.034 . . . . 0.0 108.367 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.53 ' HB3' ' H73' ' B' ' 105' ' ' ' DT' . . . -66.22 -29.38 69.62 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.65 64.15 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.76 -47.19 89.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -61.09 -25.82 67.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.502 -0.749 . . . . 0.0 109.253 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.529 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 32.3 t80 -61.98 -76.23 0.06 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -50.61 -43.26 56.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.332 -0.855 . . . . 0.0 109.792 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.93 -31.31 62.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 111.074 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 1.9 p30 -76.81 -49.22 16.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.949 -1.094 . . . . 0.0 109.374 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.538 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.5 p -77.04 -32.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.025 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 1.049 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 16.5 mt-30 -85.6 -26.1 26.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.002 -1.061 . . . . 0.0 109.163 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.9 54.95 6.12 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.049 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 44.2 m0 -66.59 143.02 57.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.099 -1.236 . . . . 0.0 109.5 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -71.59 152.16 43.16 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -141.98 132.72 25.61 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.715 1.245 . . . . 0.0 112.748 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.92 136.04 38.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -72.34 125.19 26.76 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 121.273 -0.892 . . . . 0.0 110.924 -178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -97.62 141.73 30.3 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.5 mt-10 -130.13 -47.53 1.11 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.186 -0.946 . . . . 0.0 110.398 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -36.88 -27.29 0.01 OUTLIER Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 22.7 t -89.89 144.96 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.139 -1.212 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 55' ' ' GLY . 50.1 mttt -49.77 -179.5 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.342 -0.849 . . . . 0.0 109.734 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.33 -36.87 0.12 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.56 -34.36 0.27 Allowed Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.956 -1.32 . . . . 0.0 109.94 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.4 mtpp -56.22 -8.23 0.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.017 -1.284 . . . . 0.0 108.365 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.84 135.68 57.85 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.54 0.686 . . . . 0.0 110.595 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 58' ' ' VAL . 29.4 m -143.33 133.94 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -89.63 167.76 12.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.074 -1.016 . . . . 0.0 108.606 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -122.04 148.37 44.92 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -81.69 114.97 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.0 111.38 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.8 -26.11 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmm -70.6 0.36 7.02 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.302 -0.874 . . . . 0.0 108.681 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.4 p -105.35 -12.6 15.97 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.64 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.7 152.93 96.44 Favored Pre-proline 0 N--CA 1.484 1.257 0 O-C-N 121.259 -0.901 . . . . 0.0 109.614 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 74.6 Cg_exo -40.89 136.31 2.07 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.693 1.595 . . . . 0.0 110.908 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 60.4 m -42.42 -56.89 2.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.187 -0.946 . . . . 0.0 110.107 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -52.34 -46.08 65.93 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 108.986 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -62.48 -34.39 76.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.352 -0.843 . . . . 0.0 110.834 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -53.03 -55.44 23.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.906 -1.121 . . . . 0.0 109.508 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.12 -34.56 75.17 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.14 -50.49 65.81 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.649 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.52 -51.29 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.671 -0.643 . . . . 0.0 109.339 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' GLY . 61.4 mt -53.82 -31.14 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 108.25 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.37 -39.38 39.43 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.865 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -62.52 -39.47 93.65 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -72.74 -37.28 67.77 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 78.34 40.09 20.61 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 80' ' ' SER . 16.9 mt -99.37 -91.27 0.29 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.55 -0.971 . . . . 0.0 109.155 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.554 ' OG ' ' N ' ' A' ' 81' ' ' THR . 1.0 OUTLIER 164.4 -177.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.694 -0.629 . . . . 0.0 109.419 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.554 ' N ' ' OG ' ' A' ' 80' ' ' SER . 44.1 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.313 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.564 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.498 3.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.636 " H2'" ' H72' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.636 ' H72' " H2'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.712 0 C3'-C2'-C1' 107.356 3.326 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.56 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.078 4.098 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.567 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.569 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.699 3.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.569 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.979 3.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.46 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.719 1 O4'-C1'-N19 111.369 4.462 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.515 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.187 4.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.515 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.755 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.647 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.453 4.566 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.647 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.606 4.757 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.434 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.214 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.588 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.015 4.018 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.588 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.56 3.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.643 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 C3'-C2'-C1' 107.298 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.643 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 110.774 3.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.54 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.776 1 O4'-C1'-N19 111.704 4.88 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.54 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.211 1 O4'-C1'-N19 111.648 4.81 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.897 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.659 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.006 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.659 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.847 1 O4'-C1'-N19 111.407 4.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.194 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.418 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.622 1 O4'-C1'-N19 111.064 4.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.58 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.452 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.58 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.012 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.501 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.994 3.993 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.025 4.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.5 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -160.21 173.08 16.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.517 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 16' ' ' TRP . 75.7 mt -142.32 162.32 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.536 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.4 m95 -145.92 152.74 39.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.403 0.62 . . . . 0.0 109.67 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.9 m -148.8 153.62 38.38 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.302 -0.874 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.46 160.15 70.7 Favored Pre-proline 0 C--N 1.303 -1.431 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.32 -31.24 84.05 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.019 1.813 . . . . 0.0 110.761 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.21 -38.56 89.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.646 -0.659 . . . . 0.0 110.05 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 mp0 -76.38 -37.44 57.17 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.037 -1.039 . . . . 0.0 109.035 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' ALA . 66.5 mt -74.0 -55.65 11.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 110.048 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -27.83 7.12 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 108.542 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -16.86 52.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.7 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.2 153.0 30.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.015 -1.053 . . . . 0.0 109.194 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 28' ' ' MET . 73.3 m-20 -66.04 158.03 29.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.854 -1.154 . . . . 0.0 109.446 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.9 -24.67 2.32 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.471 ' H ' ' C ' ' A' ' 26' ' ' ASP . 22.9 mmt -95.03 134.17 25.15 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.634 -0.921 . . . . 0.0 109.996 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.1 Cg_exo -44.13 176.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.655 1.57 . . . . 0.0 112.095 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.17 36.78 3.49 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 108.701 -1.76 . . . . 0.0 108.701 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -143.61 131.5 21.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.517 -0.99 . . . . 0.0 108.939 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 32' ' ' VAL . 14.5 t -51.61 -37.64 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.959 . . . . 0.0 109.245 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.418 ' HB3' ' H73' ' B' ' 105' ' ' ' DT' . . . -73.66 -39.09 64.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.174 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.89 -39.95 41.19 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.936 -1.665 . . . . 0.0 108.936 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.57 -55.87 19.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.314 -1.109 . . . . 0.0 108.566 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.564 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 91.2 m-70 -52.57 -26.76 14.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.438 -0.789 . . . . 0.0 109.529 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.527 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.2 t80 -60.08 -76.53 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -57.22 -30.4 64.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.143 -0.973 . . . . 0.0 110.233 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.92 71.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.998 -1.063 . . . . 0.0 110.577 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.0 p30 -73.74 -40.75 63.29 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.212 -0.93 . . . . 0.0 109.797 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.95 -36.52 77.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.368 -0.832 . . . . 0.0 109.704 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.25 -39.67 17.49 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.301 -0.874 . . . . 0.0 109.691 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.73 50.75 1.62 Allowed Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.234 -1.547 . . . . 0.0 109.234 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -67.97 142.69 55.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -1.075 . . . . 0.0 109.993 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 m -72.48 148.73 44.81 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' H ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -141.96 136.31 30.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.72 -1.237 . . . . 0.0 112.941 -178.092 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 9.1 tpp180 -90.14 105.99 18.18 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -68.74 113.73 6.46 Favored 'General case' 0 C--N 1.291 -1.967 0 O-C-N 121.358 -0.839 . . . . 0.0 109.943 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' CD ' ' OE1' ' A' ' 59' ' ' GLU . 18.7 mtpp -87.66 150.77 23.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.255 -0.903 . . . . 0.0 109.293 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.6 mt-10 -131.33 -54.05 1.03 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 110.319 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.42 -8.5 0.04 OUTLIER Glycine 0 N--CA 1.495 2.624 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.6 t -88.1 149.97 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.931 -1.334 . . . . 0.0 109.99 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -52.78 142.08 19.77 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 56.79 69.23 1.34 Allowed Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.641 -2.184 . . . . 0.0 107.641 -178.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . -42.76 -10.53 0.01 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 54' ' ' GLY . 18.3 mttp -52.91 -10.64 0.18 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.71 -1.465 . . . . 0.0 108.238 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.29 131.19 50.01 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.689 0.757 . . . . 0.0 111.12 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 58' ' ' VAL . 6.4 m -143.05 128.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -92.22 164.98 13.35 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.347 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.78 146.67 41.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.53 -0.731 . . . . 0.0 109.625 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.44 112.75 15.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.57 -0.706 . . . . 0.0 110.509 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -25.81 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.361 -0.837 . . . . 0.0 108.749 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.9 mmt -72.58 -4.64 31.97 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.353 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.5 p -104.37 -13.71 16.01 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -71.75 156.59 90.98 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.49 142.61 0.64 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.201 1.934 . . . . 0.0 111.842 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 m -45.73 -59.79 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.146 -0.972 . . . . 0.0 109.928 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -50.43 -44.7 55.39 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.226 -0.921 . . . . 0.0 109.227 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.385 -0.822 . . . . 0.0 110.236 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -54.26 -61.14 2.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.869 -1.144 . . . . 0.0 109.777 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.84 -31.42 70.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 108.867 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -65.15 -52.13 57.02 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.167 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.69 -49.9 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' A' ' 79' ' ' LEU . 73.2 mt -53.61 -37.06 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.62 66.49 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -65.07 -35.56 81.53 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.24 -40.74 74.29 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 79' ' ' LEU . . . 104.02 23.89 7.92 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.5 mp -92.23 -26.36 18.21 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.109 -1.23 . . . . 0.0 108.709 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.2 p -55.3 -172.26 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.535 -0.728 . . . . 0.0 109.285 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.547 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.458 3.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 1 O4'-C1'-N19 111.042 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.512 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 C3'-C2'-C1' 107.205 3.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.542 H2'' " O5'" ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.017 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.542 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.935 3.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.526 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.06 4.075 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.526 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.104 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.446 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.574 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.639 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.37 1 O4'-C1'-N19 111.828 5.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.639 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.051 4.064 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.434 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 112.116 5.395 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.461 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.186 1 O4'-C1'-N19 111.504 4.631 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.56 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.539 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.56 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.53 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.971 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.652 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.724 0 C3'-C2'-C1' 106.934 3.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.652 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.113 4.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.451 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-N19 111.923 5.154 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.451 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.954 1 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.532 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.532 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.835 5.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.432 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O4'-C1'-N19 110.909 3.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.5 1 O4'-C1'-N19 111.712 4.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.653 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.988 3.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.653 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.566 4.707 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.607 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.838 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.607 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C1'-N19 110.642 3.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.469 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.104 0 O4'-C1'-N19 110.695 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.469 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.74 1 O4'-C1'-N19 111.649 4.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 pttt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.521 ' C ' HD12 ' A' ' 15' ' ' ILE . 28.3 t -159.16 174.74 14.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.982 -1.074 . . . . 0.0 109.67 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.0 mp -143.3 160.59 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.823 0.82 . . . . 0.0 109.297 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.576 ' N ' HG22 ' A' ' 15' ' ' ILE . 16.8 m95 -142.72 155.55 44.89 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.0 m -150.89 158.03 43.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.183 -0.948 . . . . 0.0 110.987 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 146.71 56.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -40.78 -39.35 3.09 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.046 1.831 . . . . 0.0 113.132 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -56.32 -37.76 70.37 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.293 -0.88 . . . . 0.0 111.024 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.46 -35.58 63.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.752 -1.218 . . . . 0.0 108.945 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.59 -50.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.664 -0.647 . . . . 0.0 110.384 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -53.17 -28.07 24.55 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.13 -0.981 . . . . 0.0 109.057 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.66 -14.04 57.15 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.59 150.33 31.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.938 -1.101 . . . . 0.0 109.913 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.9 m-20 -65.92 157.87 29.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.906 -1.121 . . . . 0.0 108.785 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.52 -25.94 1.65 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.5 ' H ' ' C ' ' A' ' 26' ' ' ASP . 23.4 mmt -95.34 137.92 22.0 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.592 -0.946 . . . . 0.0 109.449 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' MET . 91.8 Cg_exo -40.48 168.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 122.051 1.834 . . . . 0.0 112.495 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.51 29.54 7.82 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.11 139.59 28.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.681 -0.893 . . . . 0.0 108.687 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.0 t -55.08 -46.22 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.9 . . . . 0.0 109.894 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.69 84.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 0.0 109.609 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.1 -36.0 20.33 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.02 -58.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.175 -1.191 . . . . 0.0 108.826 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.502 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 90.2 m-70 -50.53 -21.5 1.54 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 12.2 t80 -63.02 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.45 -0.781 . . . . 0.0 109.054 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 29' ' ' PRO . 8.5 ptm180 -57.34 -28.5 63.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.133 -0.979 . . . . 0.0 110.138 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.3 72.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.927 -1.108 . . . . 0.0 110.583 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.7 p30 -73.41 -39.89 64.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.667 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.01 -37.53 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.825 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -86.04 -29.06 23.73 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.185 -0.947 . . . . 0.0 109.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.34 54.89 2.86 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.488 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 40.1 m0 -66.91 143.01 57.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -1.168 . . . . 0.0 109.399 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.8 m -73.16 117.06 14.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -104.99 137.93 41.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.211 1.005 . . . . 0.0 112.515 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -111.52 138.73 47.66 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -72.27 132.42 44.03 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.259 -0.9 . . . . 0.0 110.362 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -109.71 150.26 28.55 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.5 mt-10 -130.49 -43.35 1.14 Allowed 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.177 -0.952 . . . . 0.0 110.896 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.51 -35.92 0.02 OUTLIER Glycine 0 N--CA 1.502 3.055 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' GLU . 48.7 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.191 -1.182 . . . . 0.0 110.156 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.9 mttm -53.75 -166.27 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.834 0.826 . . . . 0.0 110.287 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.09 -29.28 0.19 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 66.99 -34.09 0.19 Allowed Glycine 0 N--CA 1.492 2.379 0 O-C-N 120.8 -1.412 . . . . 0.0 110.052 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.3 mtpp -62.04 -8.58 5.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.033 -1.275 . . . . 0.0 109.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.76 129.67 23.4 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 0.0 110.485 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.8 p -144.78 127.97 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.66 165.39 12.34 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.926 -1.109 . . . . 0.0 109.985 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -118.52 146.84 44.23 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -77.15 119.2 20.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.284 -0.885 . . . . 0.0 111.069 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.56 -28.88 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.548 ' SD ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -74.62 -6.23 47.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.8 -0.563 . . . . 0.0 110.095 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.8 p -100.52 -6.54 25.29 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.488 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.8 mmt -72.44 150.24 91.49 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.661 -0.65 . . . . 0.0 109.872 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 143.31 0.77 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.524 1.482 . . . . 0.0 110.876 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -44.75 -60.57 1.96 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.057 -1.027 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -52.04 -43.69 63.89 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.312 -0.867 . . . . 0.0 109.44 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.71 -36.67 79.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.269 -0.894 . . . . 0.0 110.002 -179.247 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -52.62 -62.24 1.77 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.936 -1.102 . . . . 0.0 109.748 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -57.98 -32.95 68.38 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.22 -52.45 47.79 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.647 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.87 -48.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.738 -0.601 . . . . 0.0 109.952 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.0 -35.99 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.963 -1.085 . . . . 0.0 108.406 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.56 -40.63 49.18 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.18 -38.88 90.77 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -72.6 -46.37 54.51 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.81 37.72 4.1 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.032 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 79' ' ' LEU . 4.2 mm? -86.3 -55.35 3.95 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.584 -1.539 . . . . 0.0 108.409 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.4 p -70.73 -158.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.415 -0.803 . . . . 0.0 109.082 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 81' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.275 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.623 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.67 0 C3'-C2'-C1' 106.951 3.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.481 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.672 0 O4'-C1'-N19 110.853 3.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.524 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.801 0 C3'-C2'-C1' 107.224 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.524 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.942 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.538 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.542 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.538 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.539 1 O4'-C1'-N19 111.102 4.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.528 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.129 0 O4'-C1'-N19 110.499 3.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.487 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.614 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.625 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.258 1 O4'-C1'-N19 111.495 4.619 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.625 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.574 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.201 4.251 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.574 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.159 1 O4'-C1'-N19 111.687 4.859 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.584 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.584 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.231 4.289 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.415 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.678 3.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.679 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 C3'-C2'-C1' 106.778 2.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.679 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.758 3.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.492 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.492 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.324 4.406 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.655 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.055 0 O4'-C1'-N19 110.74 3.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.655 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.806 1 O4'-C1'-N19 111.095 4.118 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.457 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.401 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.446 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.711 3.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.634 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.634 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.391 4.489 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.465 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.486 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.54 3.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.507 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.425 3.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.507 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.258 4.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.552 3.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 17.2 t -160.85 -178.84 7.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.0 mp -140.61 160.35 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 0.0 109.365 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.582 ' N ' HG22 ' A' ' 15' ' ' ILE . 22.9 m95 -143.22 151.2 40.33 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.9 m -152.51 156.51 39.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.317 -0.864 . . . . 0.0 111.111 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.18 163.65 56.34 Favored Pre-proline 0 C--N 1.303 -1.444 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.42 -31.3 94.57 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 121.999 1.799 . . . . 0.0 111.402 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.72 -38.61 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 109.901 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -77.3 -38.0 51.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.038 -1.039 . . . . 0.0 108.827 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.41 -56.14 9.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.605 -0.684 . . . . 0.0 109.557 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.451 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -52.13 -24.22 6.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.33 -13.47 59.62 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.811 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.52 162.76 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 109.693 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 28' ' ' MET . 62.1 m-20 -63.94 -80.62 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.303 -0.873 . . . . 0.0 112.255 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.72 -6.42 0.04 OUTLIER Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' ASP . 14.2 mmt -97.11 153.04 38.62 Favored Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.258 . . . . 0.0 110.187 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' MET . 22.3 Cg_endo -61.69 173.25 2.99 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.187 1.925 . . . . 0.0 111.57 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.75 36.13 3.89 Favored Glycine 0 N--CA 1.499 2.899 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -144.21 129.65 18.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.486 -1.008 . . . . 0.0 108.724 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 t -51.77 -31.78 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.135 -0.978 . . . . 0.0 109.17 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -40.31 41.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.248 -0.907 . . . . 0.0 109.159 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.27 -44.67 52.33 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.24 -55.43 24.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.149 -1.206 . . . . 0.0 108.352 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.418 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 76.5 m-70 -49.99 -25.08 2.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.345 -0.847 . . . . 0.0 109.301 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 13.8 t80 -61.65 -77.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 0.0 109.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -58.4 -27.83 64.63 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.237 -0.914 . . . . 0.0 109.673 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.11 -54.03 35.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.801 -1.187 . . . . 0.0 110.115 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.8 p30 -75.4 -38.54 59.85 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 110.213 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -71.58 -36.32 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.244 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -82.92 -26.04 31.85 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.907 -1.121 . . . . 0.0 110.0 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.92 51.74 3.5 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -68.23 144.11 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.377 -1.072 . . . . 0.0 109.716 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -75.05 127.03 32.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 9.7 mtpm? -104.26 152.93 21.62 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 122.919 1.342 . . . . 0.0 112.573 -177.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -139.5 123.44 17.69 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -71.17 138.69 49.79 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.358 -176.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -112.05 153.16 27.29 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' VAL . 37.7 mm-40 -130.64 -44.06 1.1 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -34.23 -29.07 0.01 OUTLIER Glycine 0 N--CA 1.5 2.905 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 50' ' ' GLU . 88.4 t -88.94 124.41 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.1 -1.235 . . . . 0.0 109.81 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 121.75 11.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.381 -0.824 . . . . 0.0 108.941 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 152.65 -28.7 0.84 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.51 -33.68 0.57 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.9 mtpp -80.15 1.66 27.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.138 -1.213 . . . . 0.0 109.749 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.75 122.3 18.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.226 -0.921 . . . . 0.0 111.185 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.41 136.81 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.452 -0.78 . . . . 0.0 108.937 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -98.78 172.56 7.37 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.086 -1.009 . . . . 0.0 109.681 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -127.06 151.47 48.58 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' SD ' ' A' ' 65' ' ' MET . 51.9 t0 -77.51 114.44 16.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.159 -0.963 . . . . 0.0 111.279 -178.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.5 t -63.26 -27.01 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.054 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mmt -70.6 -2.1 13.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 0.0 109.009 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 82.4 p -104.96 -11.63 16.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.643 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.33 147.43 98.22 Favored Pre-proline 0 C--N 1.307 -1.243 0 O-C-N 121.433 -0.792 . . . . 0.0 109.376 -179.583 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' THR . 89.0 Cg_exo -42.66 141.58 2.35 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.583 1.522 . . . . 0.0 111.178 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PRO . 94.1 m -40.07 -62.97 0.66 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.478 -0.764 . . . . 0.0 110.472 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -51.18 -46.99 62.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 109.494 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -59.28 -36.74 76.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 0.0 110.299 -178.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -53.93 -46.83 71.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.799 -1.188 . . . . 0.0 109.18 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -59.77 -37.34 78.78 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -64.04 -47.63 79.43 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.199 -1.0 . . . . 0.0 108.429 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.65 -52.04 31.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.583 HG23 ' H ' ' A' ' 80' ' ' SER . 22.4 mt -55.46 -39.32 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.177 -0.952 . . . . 0.0 108.911 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.75 -41.59 59.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.113 -0.992 . . . . 0.0 108.53 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.5 -36.43 80.48 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.61 29.93 5.74 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 mp -90.77 -83.96 0.25 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.784 -1.421 . . . . 0.0 108.609 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.583 ' H ' HG23 ' A' ' 74' ' ' ILE . 11.7 p 56.37 -179.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.512 -0.743 . . . . 0.0 109.578 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.493 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.438 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.732 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.519 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.186 4.233 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.519 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.821 3.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.442 ' H71' " H2'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.298 0 C3'-C2'-C1' 107.073 3.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.543 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.369 4.461 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.551 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.101 0 O4'-C1'-N19 110.808 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.551 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.532 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.231 4.288 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.547 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.52 4.649 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.547 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.029 4.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.534 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.971 5.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.534 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.644 4.805 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.533 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.181 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.414 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.547 1 O4'-C1'-N19 111.009 4.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.005 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.647 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.647 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.222 4.278 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.419 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.855 5.069 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.432 H2'' " O5'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.343 1 O4'-C1'-N19 111.662 4.828 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.432 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.334 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.494 ' N4 ' ' C5 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.756 0 O4'-C1'-N19 110.662 3.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 1 O4'-C1'-N19 111.756 4.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.608 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.562 0 O4'-C1'-N19 110.759 3.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.608 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.14 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.22 0 O4'-C1'-N19 110.323 3.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.593 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.593 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.507 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.422 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.448 4.56 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.443 ' C ' HD12 ' A' ' 15' ' ' ILE . 28.0 t -159.69 177.26 11.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.088 -1.008 . . . . 0.0 109.794 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.57 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.2 mp -142.14 159.42 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.932 0.872 . . . . 0.0 109.162 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.57 ' N ' HG22 ' A' ' 15' ' ' ILE . 9.4 m95 -141.07 155.19 46.18 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.423 0.63 . . . . 0.0 109.725 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 17.3 m -150.23 156.63 41.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 110.566 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.34 165.3 51.12 Favored Pre-proline 0 C--N 1.303 -1.414 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.51 -32.93 94.21 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 121.968 1.778 . . . . 0.0 111.436 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.65 -37.21 78.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 110.394 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -78.11 -37.82 45.39 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.974 -1.079 . . . . 0.0 109.271 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.38 -52.78 20.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.573 -0.705 . . . . 0.0 109.527 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -27.02 17.65 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.99 0.9 . . . . 0.0 108.748 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.49 -14.27 58.4 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.827 -0.546 . . . . 0.0 110.206 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.94 154.26 31.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.03 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 28' ' ' MET . 6.4 m-20 -67.95 151.81 46.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.11 -23.01 2.27 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' ASP . 9.0 mmt -92.16 138.76 24.29 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.35 -1.088 . . . . 0.0 109.258 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.7 Cg_exo -41.41 169.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.055 1.837 . . . . 0.0 112.322 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.16 36.31 3.47 Favored Glycine 0 N--CA 1.5 2.935 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.7 m -146.21 134.11 21.33 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -1.065 . . . . 0.0 109.356 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.54 -43.07 52.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 108.959 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.73 -28.68 62.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.215 -0.928 . . . . 0.0 108.703 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.16 92.33 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.89 -57.07 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -1.104 . . . . 0.0 108.849 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.549 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 66.2 m-70 -47.27 -32.62 4.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.02 -74.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.331 -0.855 . . . . 0.0 108.973 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -51.69 -31.53 26.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 109.613 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -57.27 13.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.243 -0.91 . . . . 0.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.09 -38.34 66.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.993 . . . . 0.0 109.678 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.83 -45.47 91.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.479 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -86.37 -34.27 20.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.306 -0.871 . . . . 0.0 109.893 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.92 55.61 1.6 Allowed Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -67.31 145.43 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -1.136 . . . . 0.0 109.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.4 m -74.91 119.5 19.18 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -105.8 137.32 43.88 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.196 0.998 . . . . 0.0 112.456 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 14.0 ttp180 -117.95 108.34 15.16 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -68.06 129.95 41.47 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -177.217 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -75.95 171.92 13.61 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -131.74 -58.34 0.97 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.125 -0.984 . . . . 0.0 111.142 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -3.62 1.51 Allowed Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.311 -0.868 . . . . 0.0 112.153 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.9 t -90.67 137.06 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.478 -1.601 . . . . 0.0 110.504 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 55' ' ' GLY . 39.0 mttp -51.8 173.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.764 0.792 . . . . 0.0 110.258 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.07 -30.62 0.11 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 67.63 -13.22 0.64 Allowed Glycine 0 N--CA 1.492 2.385 0 O-C-N 120.856 -1.379 . . . . 0.0 109.857 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.3 mtpp -75.95 -18.96 59.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.259 . . . . 0.0 109.141 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 120.55 7.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.758 . . . . 0.0 111.166 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p -141.45 141.03 30.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 108.842 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -100.16 168.07 10.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.355 -0.84 . . . . 0.0 109.019 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.77 150.31 41.19 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.405 ' O ' ' OG ' ' A' ' 64' ' ' SER . 54.8 t0 -74.07 113.64 11.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 0.0 110.973 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.93 -25.55 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.531 ' SD ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -70.5 -5.48 29.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 79.6 p -102.96 -8.32 20.75 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.641 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -70.03 139.55 87.89 Favored Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 121.144 -0.973 . . . . 0.0 109.261 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' THR . 62.2 Cg_exo -39.58 143.16 0.39 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.7 1.6 . . . . 0.0 111.336 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.4 m -41.91 -65.61 0.43 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -49.11 -45.58 43.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.321 -0.862 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.73 -34.11 75.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 110.687 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -55.22 -42.81 73.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.758 -1.214 . . . . 0.0 108.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -61.58 -40.11 93.61 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -64.81 -45.66 85.26 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.411 -0.916 . . . . 0.0 108.632 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.59 -51.82 38.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.456 HG23 ' H ' ' A' ' 80' ' ' SER . 36.8 mt -56.14 -45.6 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 109.023 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.29 73.6 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.694 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.55 -37.76 88.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 77' ' ' LEU . 20.9 mt -73.2 -38.86 65.97 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.91 36.82 7.06 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mt -90.98 -74.98 0.48 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.213 -1.169 . . . . 0.0 108.804 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.456 ' H ' HG23 ' A' ' 74' ' ' ILE . 39.2 m -115.59 175.37 5.55 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.615 -0.678 . . . . 0.0 109.186 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.536 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.711 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.681 0 C3'-C2'-C1' 107.157 3.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.421 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.612 1 O4'-C1'-N19 111.468 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.463 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.663 0 C3'-C2'-C1' 107.188 3.206 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.463 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.837 3.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.424 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.254 0 O4'-C1'-N19 110.982 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.505 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 111.41 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.505 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.495 3.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.439 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.296 4.371 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.554 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.625 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.437 1 O4'-C1'-N19 111.615 4.768 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.625 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.563 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.467 1 O4'-C1'-N19 112.315 5.644 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.563 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.86 5.075 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.474 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.373 0 O4'-C1'-N19 110.694 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.035 4.044 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.494 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.745 ' H6 ' " O5'" ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 C3'-C2'-C1' 106.977 3.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.643 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.403 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.971 5.214 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.096 1 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.547 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.28 4.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.547 " O5'" H2'' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.368 4.459 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.475 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.283 4.353 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.471 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.7 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.676 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.567 3.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.676 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.849 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.507 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.162 0 O4'-C1'-N19 110.399 3.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.507 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.393 0 O4'-C1'-N19 110.509 3.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.477 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.561 1 O4'-C1'-N19 111.41 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.405 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.595 1 O4'-C1'-N19 111.244 4.306 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.805 3.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -159.12 172.84 17.37 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.302 -0.874 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.525 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 69.7 mt -143.11 160.5 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 16.1 m95 -145.91 159.38 43.31 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -149.29 158.34 44.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.005 -1.059 . . . . 0.0 111.006 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.14 150.54 68.41 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.33 -50.11 4.62 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.982 1.788 . . . . 0.0 112.651 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -56.39 -32.52 64.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.453 -0.779 . . . . 0.0 111.434 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -74.92 -35.35 62.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.563 -1.336 . . . . 0.0 108.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.03 -54.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.428 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -50.14 -26.11 4.22 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.238 -179.493 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.49 -10.63 59.44 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.746 -0.596 . . . . 0.0 110.302 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.47 157.28 22.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.663 -1.273 . . . . 0.0 109.458 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 2.2 m-20 -70.13 165.12 22.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.969 -1.082 . . . . 0.0 108.86 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.89 -15.85 2.16 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -89.92 151.3 45.13 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 120.97 -1.312 . . . . 0.0 109.872 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -36.19 -67.82 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.035 2.49 . . . . 0.0 112.823 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.69 14.25 4.83 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.6 m -146.71 147.74 31.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.516 -0.991 . . . . 0.0 109.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -55.3 -56.24 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.083 -1.011 . . . . 0.0 109.206 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.09 74.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.918 -1.114 . . . . 0.0 108.814 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.28 -38.33 77.68 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.27 -50.02 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.923 -1.339 . . . . 0.0 108.81 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.565 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 74.1 m-70 -59.9 -23.07 63.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.224 -0.922 . . . . 0.0 109.56 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -60.93 -75.21 0.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 108.909 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.66 -35.88 63.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.305 -0.872 . . . . 0.0 109.902 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.56 39.07 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.087 -1.008 . . . . 0.0 110.628 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.6 p30 -75.08 -44.81 45.39 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.186 -0.947 . . . . 0.0 110.076 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.5 -42.74 92.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.616 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 67.8 mt-30 -85.26 -35.5 21.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.263 -0.898 . . . . 0.0 109.547 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.61 51.53 2.49 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 41.2 m0 -66.85 147.43 53.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -1.16 . . . . 0.0 109.508 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 m -73.73 118.21 16.42 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -100.52 136.75 39.91 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.326 1.06 . . . . 0.0 112.966 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 8.6 ttm-85 -102.77 139.09 38.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -77.3 119.9 21.59 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 121.154 -0.966 . . . . 0.0 109.914 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -95.47 145.18 25.36 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 52' ' ' VAL . 16.8 mt-10 -130.7 -50.33 1.06 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.378 -0.826 . . . . 0.0 109.667 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -39.37 -25.52 0.05 OUTLIER Glycine 0 N--CA 1.498 2.801 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' GLU . 9.9 t -88.41 128.9 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.153 -1.204 . . . . 0.0 109.07 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -54.53 145.58 18.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.483 -0.761 . . . . 0.0 109.28 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 115.34 -34.37 4.84 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.71 -37.5 0.37 Allowed Glycine 0 N--CA 1.493 2.443 0 O-C-N 121.207 -1.172 . . . . 0.0 110.297 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.8 mtpp -66.33 -11.22 49.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.25 . . . . 0.0 109.006 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.74 135.75 57.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.521 -0.737 . . . . 0.0 111.156 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 m -142.09 137.34 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.47 171.2 8.71 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.062 -1.024 . . . . 0.0 109.071 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.452 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 91.6 m-85 -127.14 147.86 50.17 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.424 -0.798 . . . . 0.0 109.407 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -77.44 114.32 16.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.793 . . . . 0.0 110.377 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.76 -28.95 44.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.321 -0.862 . . . . 0.0 108.782 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmt -72.77 0.32 11.2 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 109.599 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.8 p -108.2 -12.04 15.15 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.369 -0.832 . . . . 0.0 109.312 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtt -74.0 147.76 86.29 Favored Pre-proline 0 N--CA 1.484 1.233 0 O-C-N 120.88 -1.138 . . . . 0.0 108.743 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 72.7 Cg_exo -41.53 139.06 2.09 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.415 1.41 . . . . 0.0 110.398 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 22.4 m -44.09 -54.7 5.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.207 -0.933 . . . . 0.0 109.86 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.66 -47.06 70.73 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.091 -1.005 . . . . 0.0 108.776 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -64.96 -53.27 49.0 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.854 . . . . 0.0 110.996 -179.051 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -56.88 -26.35 58.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.978 -1.077 . . . . 0.0 109.719 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -65.87 -37.8 87.12 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -62.31 -41.04 98.2 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 t -70.71 -57.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.84 -36.56 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -0.931 . . . . 0.0 108.623 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.85 -42.85 26.47 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.431 -0.908 . . . . 0.0 108.727 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.53 -38.25 90.42 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 106.943 -1.502 . . . . 0.0 106.943 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 77' ' ' LEU . 18.7 mt -71.06 -38.48 72.5 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.01 40.85 7.36 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -90.58 -76.03 0.45 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.219 -1.166 . . . . 0.0 109.229 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.3 t -56.63 -174.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.301 -0.874 . . . . 0.0 109.237 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.472 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.506 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.404 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.85 3.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.581 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.793 0 O4'-C1'-N19 110.552 3.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.671 " H2'" ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.061 1 O4'-C1'-N19 111.171 4.214 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.671 ' H72' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.051 0 C3'-C2'-C1' 107.136 3.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.46 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.464 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.024 0 O4'-C1'-N19 110.774 3.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.464 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.534 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.378 1 O4'-C1'-N19 111.133 4.167 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.534 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.339 1 O4'-C1'-N19 111.165 4.207 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.607 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.663 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.607 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.561 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.357 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.534 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.534 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.684 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.888 0 C3'-C2'-C1' 106.828 2.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.684 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.479 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.86 1 O4'-C1'-N19 111.543 4.678 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.479 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.498 4.622 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.573 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.867 1 O4'-C1'-N19 111.129 4.161 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.573 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.505 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.424 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.505 " O4'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.349 1 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.63 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.63 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.368 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.452 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.042 1 O4'-C1'-N19 111.123 4.153 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.594 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.834 0 O4'-C1'-N19 110.411 3.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.594 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C1'-N19 110.977 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.448 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.68 1 O4'-C1'-N19 111.092 4.114 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 pttm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.4 t -159.15 173.04 17.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 64.4 mt -141.59 164.66 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 21.1 m95 -148.17 153.58 38.99 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.621 -0.674 . . . . 0.0 109.718 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 m -149.65 153.47 37.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 0.0 110.648 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 p -81.5 150.99 68.06 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -41.82 -46.89 6.55 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.137 1.891 . . . . 0.0 112.865 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.411 ' OE1' ' CE ' ' A' ' 23' ' ' MET . 8.8 mm100 -54.8 -33.17 61.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.81 -36.62 56.81 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ALA . 69.5 mt -74.88 -59.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.411 ' CE ' ' OE1' ' A' ' 20' ' ' GLN . 2.1 ptt? -52.24 -24.27 7.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.582 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -16.65 54.15 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.421 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.38 150.93 31.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.05 -1.031 . . . . 0.0 109.761 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.48 152.0 46.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.062 -1.024 . . . . 0.0 108.867 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -23.21 4.09 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' PRO . 10.5 mmt -92.61 143.35 27.01 Favored Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.229 -1.16 . . . . 0.0 109.67 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' MET . 86.8 Cg_exo -40.94 170.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.189 1.926 . . . . 0.0 112.653 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.66 7.07 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.444 ' OG ' ' C7 ' ' B' ' 105' ' ' ' DT' . 0.3 OUTLIER -145.49 138.87 26.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.454 -1.027 . . . . 0.0 109.02 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 t -54.84 -46.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.427 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.29 79.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.801 -1.187 . . . . 0.0 108.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.39 -32.65 64.43 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.5 -51.9 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.412 -1.052 . . . . 0.0 108.645 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.603 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 89.7 m-70 -64.76 -21.97 66.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.389 -0.819 . . . . 0.0 109.728 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 37.3 t80 -62.57 -76.66 0.06 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.464 HH11 ' CG ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -55.7 -28.83 57.76 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.228 -0.92 . . . . 0.0 109.958 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.15 -49.07 72.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 110.369 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 11.5 p30 -73.14 -43.94 60.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.099 -1.001 . . . . 0.0 109.508 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 43.7 t -57.74 -43.59 84.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.566 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.461 ' OE1' ' NH1' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -87.0 -43.2 12.52 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.346 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 99.13 57.23 0.97 Allowed Glycine 0 N--CA 1.498 2.81 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -68.24 142.42 55.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.237 -1.155 . . . . 0.0 110.321 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.3 m -73.57 142.54 46.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -134.8 133.83 40.23 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.649 1.214 . . . . 0.0 111.773 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.99 137.9 39.66 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 8.3 tmtt? -72.34 123.38 22.9 Favored 'General case' 0 C--N 1.29 -2.002 0 O-C-N 121.379 -0.826 . . . . 0.0 110.121 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -103.76 153.15 21.02 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 22.5 mt-10 -131.27 -42.72 1.06 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.315 -0.865 . . . . 0.0 110.619 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.96 -35.26 0.01 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 28.6 t -91.3 143.98 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.154 -1.203 . . . . 0.0 109.929 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' NZ ' ' C2 ' ' B' ' 112' ' ' ' DA' . 1.9 mtpm? -51.53 -171.04 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.722 0.772 . . . . 0.0 110.009 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.26 -46.4 1.02 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 83.94 -34.11 3.03 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.684 ' HZ2' ' N2 ' ' B' ' 110' ' ' ' DG' . 19.8 mtmm -65.93 4.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.409 -1.054 . . . . 0.0 108.821 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -68.2 123.61 21.16 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.438 -0.789 . . . . 0.0 111.0 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.47 133.18 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.25 166.83 11.71 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.186 -0.946 . . . . 0.0 109.827 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -116.47 149.21 39.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -79.67 110.69 15.24 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.323 -0.861 . . . . 0.0 110.778 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.51 -25.55 38.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.4 mmm -72.83 1.61 8.28 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.611 -0.836 . . . . 0.0 108.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.7 p -111.11 -11.78 14.23 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 mtt -73.69 156.7 88.27 Favored Pre-proline 0 N--CA 1.485 1.303 0 O-C-N 121.172 -0.955 . . . . 0.0 109.187 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -39.45 136.32 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.263 1.976 . . . . 0.0 111.821 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.2 m -43.41 -57.88 2.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.286 -0.884 . . . . 0.0 110.077 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -49.91 -49.55 49.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.061 -1.024 . . . . 0.0 109.233 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.72 -28.56 69.97 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 0.0 111.116 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -57.55 -61.03 2.79 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.63 -1.294 . . . . 0.0 109.926 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 4.3 pt-20 -59.95 -33.31 71.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 108.565 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.23 -51.35 61.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.951 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.46 -51.5 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.677 ' CG2' ' H ' ' A' ' 80' ' ' SER . 68.8 mt -54.81 -38.52 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.88 74.88 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.671 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -63.06 -36.34 83.26 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' A' ' 79' ' ' LEU . 85.4 mt -72.49 -39.78 67.41 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.65 33.01 9.51 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.844 -1.702 . . . . 0.0 108.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 77' ' ' LEU . 5.0 mp -95.26 -85.96 0.31 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.513 -0.992 . . . . 0.0 108.864 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.677 ' H ' ' CG2' ' A' ' 74' ' ' ILE . 51.8 p 46.79 -171.61 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.558 -0.714 . . . . 0.0 109.895 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.404 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.349 3.186 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.533 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.545 " H2'" ' H71' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.545 ' H71' " H2'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.539 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.549 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.549 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O4'-C1'-N19 110.559 3.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.502 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.661 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.684 ' N2 ' ' HZ2' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O4'-C1'-N19 111.29 4.363 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.54 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.78 4.975 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.54 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 111.011 4.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.486 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.595 4.744 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.568 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.51 0 O4'-C1'-N19 110.786 3.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.568 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.341 4.427 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.629 3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.67 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 C3'-C2'-C1' 106.928 3.02 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.67 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.911 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.483 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.84 1 O4'-C1'-N19 112.131 5.414 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.483 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.465 1 O4'-C1'-N19 111.411 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 111.16 4.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.687 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.364 4.455 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.687 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.137 4.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.446 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.322 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.5 ' O2 ' ' CE ' ' A' ' 56' ' ' LYS . . . . . . . . 1 C5'--C4' 1.544 4.089 1 O4'-C1'-N19 111.256 4.32 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.644 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.798 3.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.644 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.351 4.439 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.458 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.975 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.554 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.562 3.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.554 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.168 4.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.743 3.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.5 t -161.62 179.08 8.46 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.33 -0.856 . . . . 0.0 109.5 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 64.8 mt -142.63 163.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 21.4 m95 -146.47 155.4 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -149.64 156.67 42.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.164 -0.96 . . . . 0.0 110.674 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -79.97 145.17 60.79 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -40.24 -42.57 3.63 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.937 1.758 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -56.86 -33.03 66.4 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.497 -0.752 . . . . 0.0 111.47 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.94 -36.79 59.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.62 -1.3 . . . . 0.0 109.368 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.2 mt -75.13 -54.52 13.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.417 -0.802 . . . . 0.0 110.565 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' PRO . 1.1 ptt? -52.39 -24.83 8.4 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.27 -14.38 57.47 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.737 -0.602 . . . . 0.0 109.679 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.75 153.0 31.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.56 149.59 48.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.445 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.74 -19.74 7.08 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.5 mmt -96.78 145.13 29.06 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.208 -1.172 . . . . 0.0 110.543 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' MET . 87.7 Cg_exo -44.95 175.14 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.908 1.738 . . . . 0.0 112.365 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.6 31.49 5.0 Favored Glycine 0 N--CA 1.499 2.855 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 p -148.37 143.42 26.83 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.358 -1.083 . . . . 0.0 109.178 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.84 -53.75 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.018 -1.051 . . . . 0.0 109.491 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.72 -35.16 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.777 -1.202 . . . . 0.0 108.867 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.38 64.41 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.12 -46.86 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.057 -1.261 . . . . 0.0 108.762 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.54 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 74.6 m-70 -61.38 -23.54 65.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.315 -0.866 . . . . 0.0 108.97 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 26.3 t80 -58.97 -73.86 0.08 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' HB3' HE21 ' A' ' 42' ' ' GLN . 36.6 mtp180 -56.19 -41.73 76.02 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.258 -0.901 . . . . 0.0 110.271 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.04 -47.76 64.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 0.0 111.133 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.9 p30 -73.81 -43.22 59.47 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.937 -1.102 . . . . 0.0 109.47 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.2 t -64.84 -39.89 87.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.756 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.57 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 32.7 mt-30 -88.22 -36.35 16.82 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 0.0 110.102 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.28 53.48 2.48 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.57 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 39.3 m0 -68.05 149.27 49.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -1.12 . . . . 0.0 110.472 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.4 m -74.37 152.32 39.58 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -143.89 132.92 22.83 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.638 -1.289 . . . . 0.0 113.015 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -98.3 124.94 43.19 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 126.73 31.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.309 -0.869 . . . . 0.0 111.633 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -86.49 159.39 19.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.395 -0.815 . . . . 0.0 108.919 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.2 mt-10 -131.86 -59.33 0.95 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.219 -0.926 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -44.68 -14.76 0.04 OUTLIER Glycine 0 N--CA 1.495 2.621 0 O-C-N 121.465 -0.772 . . . . 0.0 111.447 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.2 t -88.95 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.763 -1.433 . . . . 0.0 110.29 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' A' ' 55' ' ' GLY . 35.5 mttt -48.97 173.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.349 -0.844 . . . . 0.0 109.189 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.68 -38.11 0.13 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 71.52 -16.24 1.38 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.598 ' O ' HG13 ' A' ' 58' ' ' VAL . 20.2 mtpp -74.32 -17.76 60.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -1.112 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.69 133.23 17.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 110.812 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 56' ' ' LYS . 26.5 m -141.04 135.33 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.516 -0.74 . . . . 0.0 109.084 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.6 171.45 9.01 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.072 -1.018 . . . . 0.0 108.932 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -125.38 147.62 49.09 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -76.98 111.62 12.73 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.862 . . . . 0.0 110.864 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.25 -27.45 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -5.33 36.18 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.0 p -105.97 -9.91 16.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.404 -0.81 . . . . 0.0 109.278 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.5 mtt -73.26 156.98 88.81 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.077 . . . . 0.0 109.801 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' THR . 88.4 Cg_exo -42.39 139.61 2.84 Favored 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.965 1.777 . . . . 0.0 111.071 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' PRO . 11.0 m -44.31 -54.91 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.284 -0.885 . . . . 0.0 109.656 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -54.15 -49.82 68.37 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.289 -0.882 . . . . 0.0 109.198 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -56.06 -40.67 73.91 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.305 -0.872 . . . . 0.0 109.906 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -52.22 -43.85 64.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.966 -1.084 . . . . 0.0 108.978 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.06 -38.65 89.6 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.51 -45.98 84.91 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.398 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -71.79 -52.58 24.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' GLY . 57.1 mt -53.03 -35.92 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.39 -0.819 . . . . 0.0 109.089 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.03 -39.64 20.98 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.358 -0.839 . . . . 0.0 108.918 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -60.52 -39.96 89.7 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.8 mt -73.4 -38.22 65.69 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 68.43 44.89 71.39 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.714 HD12 ' N ' ' A' ' 80' ' ' SER . 3.2 pp -97.57 -52.21 3.85 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.478 -1.013 . . . . 0.0 110.234 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.714 ' N ' HD12 ' A' ' 79' ' ' LEU . 79.7 p -60.93 164.05 5.26 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.108 -0.995 . . . . 0.0 109.87 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 81' ' ' THR . 2.5 t . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.522 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.422 3.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.882 3.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.598 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C3'-C2'-C1' 107.172 3.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.598 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.85 1 O4'-C1'-N19 111.237 4.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.529 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.173 4.217 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.56 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.623 3.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.56 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.902 3.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.455 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.508 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.959 3.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.508 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.646 3.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.492 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.504 1 O4'-C1'-N19 111.525 4.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.567 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.13 1 O4'-C1'-N19 111.669 4.837 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.567 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.182 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.168 4.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.706 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.638 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.525 0 C3'-C2'-C1' 107.042 3.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.638 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.733 3.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.519 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.484 1 O4'-C1'-N19 111.732 4.915 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.519 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.293 1 O4'-C1'-N19 111.491 4.614 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 111.099 4.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.575 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.575 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.73 1 O4'-C1'-N19 111.432 4.54 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.647 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.472 3.339 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.647 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.486 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.007 4.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.486 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.471 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.806 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 1 O4'-C1'-N19 111.362 4.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.475 3.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 27.4 t -161.49 -178.82 6.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.331 -0.856 . . . . 0.0 109.428 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 16' ' ' TRP . 62.8 mt -140.45 163.67 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.54 ' N ' HG22 ' A' ' 15' ' ' ILE . 33.0 m95 -146.88 159.5 43.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.793 -0.567 . . . . 0.0 109.525 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.2 m -150.12 156.94 42.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.165 -0.96 . . . . 0.0 110.869 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 156.95 77.85 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.71 -44.89 44.3 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.938 1.759 . . . . 0.0 111.23 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.33 -26.74 65.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.451 -0.781 . . . . 0.0 110.587 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -78.32 -42.49 30.54 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.788 -1.195 . . . . 0.0 109.12 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -72.2 -52.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 109.952 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -52.6 -28.77 22.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.257 -0.902 . . . . 0.0 108.994 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.67 59.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.717 -0.615 . . . . 0.0 110.07 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 146.89 29.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.784 -1.198 . . . . 0.0 109.491 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.11 160.11 16.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.763 -1.21 . . . . 0.0 108.783 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.82 -20.67 6.2 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.2 mmt -91.25 149.3 39.5 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.118 -1.225 . . . . 0.0 109.888 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -33.61 -67.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.962 2.441 . . . . 0.0 113.021 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.57 14.29 4.88 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -146.9 144.46 29.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.325 -1.103 . . . . 0.0 109.306 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 32' ' ' VAL . 5.8 t -54.08 -45.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.035 -1.041 . . . . 0.0 108.749 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.43 -24.86 63.89 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.188 -0.945 . . . . 0.0 108.79 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.67 92.86 Favored Glycine 0 N--CA 1.487 2.046 0 N-CA-C 108.926 -1.669 . . . . 0.0 108.926 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.96 -53.67 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.909 -1.348 . . . . 0.0 108.917 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 85.4 m-70 -52.16 -27.9 16.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.134 -0.978 . . . . 0.0 109.251 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.9 t80 -61.31 -74.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 108.968 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -54.9 -38.23 67.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.37 -49.12 62.11 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.254 -0.904 . . . . 0.0 110.405 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -75.14 -46.49 33.96 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.015 -1.053 . . . . 0.0 109.568 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.428 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.8 t -62.17 -40.79 88.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.626 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -85.37 -40.99 15.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.155 -0.965 . . . . 0.0 109.339 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 89.16 53.51 2.49 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.95 154.33 41.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.19 -1.182 . . . . 0.0 109.237 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 m -71.94 158.52 35.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -139.22 130.72 27.13 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.639 1.209 . . . . 0.0 112.317 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.23 119.4 39.3 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -74.42 129.59 38.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.802 0.81 . . . . 0.0 111.919 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.95 161.45 15.17 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 52' ' ' VAL . 11.5 mt-10 -131.45 -60.2 0.95 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.071 -1.018 . . . . 0.0 110.76 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.04 -12.01 0.04 OUTLIER Glycine 0 N--CA 1.494 2.563 0 O-C-N 121.407 -0.808 . . . . 0.0 111.295 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.8 t -89.26 136.86 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.775 -1.427 . . . . 0.0 110.42 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 55' ' ' GLY . 33.8 mttp -51.33 -178.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 63.36 -34.62 0.08 OUTLIER Glycine 0 N--CA 1.488 2.154 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 73.93 -28.25 0.94 Allowed Glycine 0 N--CA 1.49 2.298 0 O-C-N 120.87 -1.371 . . . . 0.0 109.852 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.549 ' HZ3' ' H21' ' B' ' 110' ' ' ' DG' . 13.7 mttm -64.86 -15.93 62.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -1.218 . . . . 0.0 109.07 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.13 116.92 2.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.542 -0.724 . . . . 0.0 111.842 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' VAL . 31.6 m -136.19 129.67 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -90.94 173.29 8.05 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.152 -0.968 . . . . 0.0 109.4 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -128.48 149.55 50.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.417 -0.802 . . . . 0.0 109.032 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' O ' ' OG ' ' A' ' 64' ' ' SER . 63.4 t0 -80.53 115.57 20.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.533 -0.73 . . . . 0.0 110.941 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.04 -26.58 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 108.82 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.6 mmt -70.36 0.27 6.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 60.6 p -107.59 -12.0 15.35 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.57 150.86 97.54 Favored Pre-proline 0 C--N 1.308 -1.221 0 O-C-N 121.311 -0.868 . . . . 0.0 109.222 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 86.6 Cg_exo -42.19 141.74 1.9 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.514 1.476 . . . . 0.0 110.616 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 16.9 m -44.06 -57.28 3.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.249 -0.907 . . . . 0.0 109.8 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -53.3 -46.44 69.37 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.326 -0.859 . . . . 0.0 109.369 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -61.24 -34.64 75.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.269 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -55.12 -56.86 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.901 -1.125 . . . . 0.0 109.689 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -60.24 -36.06 76.89 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -65.12 -49.01 71.59 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.307 -0.957 . . . . 0.0 108.583 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -71.29 -51.71 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.648 -0.658 . . . . 0.0 109.264 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.538 HG23 ' H ' ' A' ' 80' ' ' SER . 33.2 mt -53.94 -31.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.058 -1.026 . . . . 0.0 108.295 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.81 45.4 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.74 -37.34 86.2 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.22 -38.37 63.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 82.58 37.4 14.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 mt -96.83 -84.02 0.37 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.457 -1.025 . . . . 0.0 109.423 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.538 ' H ' HG23 ' A' ' 74' ' ' ILE . 15.9 p 48.45 -151.46 0.13 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.375 -0.828 . . . . 0.0 109.471 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.352 179.883 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.458 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.415 3.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.68 1 O4'-C1'-N19 111.029 4.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.551 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.874 0 C3'-C2'-C1' 107.282 3.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.551 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-N19 110.926 3.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.535 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.314 4.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.535 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.492 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.549 ' H21' ' HZ3' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.578 4.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.501 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.961 0 O4'-C1'-N19 110.732 3.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.501 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.488 ' C6 ' ' C6 ' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 112.22 5.525 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.505 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.715 4.894 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.505 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.412 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.671 0 O4'-C1'-N19 110.998 3.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.815 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.703 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 C3'-C2'-C1' 106.817 2.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.703 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.11 4.137 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.442 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.824 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.442 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.059 1 O4'-C1'-N19 111.465 4.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.176 4.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.468 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.287 4.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.468 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.542 4.678 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.467 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.067 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 1 O4'-C1'-N19 111.526 4.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.695 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.163 4.203 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.695 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.467 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.108 0 O4'-C1'-N19 110.395 3.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.504 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.504 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.453 3.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.499 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 0 O4'-C1'-N19 110.593 3.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -159.61 174.35 14.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.267 -0.895 . . . . 0.0 109.697 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.559 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.8 mt -140.51 163.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.559 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.2 m95 -147.03 157.37 43.59 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.715 -0.616 . . . . 0.0 109.599 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.3 m -148.78 157.4 43.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.923 . . . . 0.0 110.861 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -80.63 149.87 68.79 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -40.57 -54.15 2.44 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.973 1.782 . . . . 0.0 112.441 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -56.83 -27.25 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.604 -0.685 . . . . 0.0 111.591 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.46 -37.98 63.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.591 -1.318 . . . . 0.0 108.657 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.6 mt -75.34 -55.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.513 -0.742 . . . . 0.0 110.41 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.424 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -48.3 -27.55 2.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.055 -1.028 . . . . 0.0 109.537 -179.508 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -11.96 59.5 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.882 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.64 145.06 28.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.84 -1.163 . . . . 0.0 109.837 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.86 156.47 20.65 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.847 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.25 -16.59 33.06 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.74 149.72 38.38 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.172 -1.193 . . . . 0.0 109.931 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -35.95 -72.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.852 2.368 . . . . 0.0 113.395 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 10.89 2.58 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.49 ' OG ' ' C7 ' ' B' ' 105' ' ' ' DT' . 2.2 t -144.01 147.37 33.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.225 -1.162 . . . . 0.0 108.941 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -56.67 -43.49 79.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.036 -1.04 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.51 77.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.042 -1.036 . . . . 0.0 108.65 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.29 58.82 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.911 -1.675 . . . . 0.0 108.911 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.24 -56.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.11 -1.23 . . . . 0.0 108.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.564 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 82.1 m-70 -52.84 -27.62 19.16 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.701 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.75 -75.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.215 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 13.4 mtp180 -53.18 -32.61 48.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.334 -0.854 . . . . 0.0 109.953 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -54.2 -54.23 42.73 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.235 -0.916 . . . . 0.0 110.78 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.84 -43.16 59.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.948 -1.095 . . . . 0.0 109.302 -179.44 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.3 t -57.46 -47.99 83.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.489 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -83.5 -34.14 25.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.368 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 87.62 55.05 2.38 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.04 148.47 51.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.098 -1.236 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.48 149.27 45.99 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.35 132.95 43.4 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.383 1.087 . . . . 0.0 112.117 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -107.44 139.31 42.13 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -73.22 132.57 43.33 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 121.301 -0.874 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 57' ' ' ALA . 50.7 tttt -117.52 147.53 42.69 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.5 mt-10 -131.65 -40.52 1.09 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.024 -1.047 . . . . 0.0 111.096 -178.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -28.93 -34.89 0.01 OUTLIER Glycine 0 N--CA 1.502 3.037 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.074 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.545 ' N ' ' O ' ' A' ' 50' ' ' GLU . 85.7 t -91.29 133.32 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.977 -1.308 . . . . 0.0 110.096 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.42 129.34 41.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.246 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.92 -36.03 1.16 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.04 -43.94 2.74 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.554 ' NZ ' ' N3 ' ' B' ' 110' ' ' ' DG' . 19.6 mttm -66.17 -5.34 9.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -1.081 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -58.44 113.19 1.86 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 111.394 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.3 m -137.8 136.53 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -94.1 172.12 8.42 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.089 -1.007 . . . . 0.0 109.807 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -127.84 151.27 49.26 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.446 -0.784 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' SD ' ' A' ' 65' ' ' MET . 39.1 t0 -82.01 116.39 21.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 111.472 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.4 -28.6 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 108.805 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mmm -70.85 1.7 5.18 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.5 p -108.89 -7.29 15.48 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.635 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -71.37 148.39 93.44 Favored Pre-proline 0 C--N 1.311 -1.081 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.8 Cg_exo -40.87 133.01 2.7 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 121.325 1.35 . . . . 0.0 110.417 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 51.8 m -37.6 -57.0 0.99 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.527 -0.733 . . . . 0.0 110.462 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -53.15 -49.65 66.17 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.067 -1.021 . . . . 0.0 108.529 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 73.4 mt-10 -63.86 -52.1 61.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 111.309 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -53.31 -38.34 63.1 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.374 -1.454 . . . . 0.0 108.793 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.81 -39.28 90.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.88 -40.89 97.6 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.12 -56.47 9.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.7 mt -50.43 -29.84 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.26 -43.28 21.64 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.866 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.67 -37.01 84.75 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 77' ' ' LEU . 21.2 mt -71.55 -40.19 70.19 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.3 41.65 7.84 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' C ' ' N ' ' A' ' 81' ' ' THR . 9.7 mt -90.29 -73.32 0.53 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.8 t -50.7 -13.64 0.15 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 122.014 0.911 . . . . 0.0 109.383 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.474 ' N ' ' C ' ' A' ' 79' ' ' LEU . 47.9 m . . . . . 0 C--N 1.288 -2.071 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.533 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.496 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.616 0 O4'-C1'-N19 110.32 3.15 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.429 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.663 0 O4'-C1'-N19 110.931 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.567 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 C3'-C2'-C1' 107.162 3.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.608 " H2'" ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.05 4.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.608 ' H72' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.589 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.063 1 O4'-C1'-N19 111.287 4.359 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.589 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.52 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.959 3.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.554 ' N3 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.562 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.41 1 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.562 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.504 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.957 5.196 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.51 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.099 1 O4'-C1'-N19 111.819 5.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.51 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.453 0 O4'-C1'-N19 110.701 3.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.508 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.078 4.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.508 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.901 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.618 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.08 0 C3'-C2'-C1' 106.964 3.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.618 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.52 ' C4 ' ' C8 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.818 5.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.52 ' C8 ' ' C4 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.431 1 O4'-C1'-N19 111.759 4.949 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.472 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.058 1 O4'-C1'-N19 111.804 5.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.572 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.025 0 O4'-C1'-N19 110.967 3.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.572 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.103 4.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.492 H2'' " O5'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.479 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.492 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.536 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.654 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.397 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.654 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.101 1 O4'-C1'-N19 111.104 4.129 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.549 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.36 0 O4'-C1'-N19 110.534 3.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.549 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.701 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.461 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.337 0.589 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 14.5 t -160.99 179.82 8.14 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.295 -0.878 . . . . 0.0 109.576 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 16' ' ' TRP . 67.5 mt -140.94 163.75 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.546 ' N ' HG22 ' A' ' 15' ' ' ILE . 44.1 m95 -147.32 155.56 42.13 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 27.2 m -151.48 154.4 36.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.171 -0.955 . . . . 0.0 111.277 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 p -83.63 149.67 57.87 Favored Pre-proline 0 C--N 1.302 -1.495 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -39.25 -45.11 2.93 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.179 1.919 . . . . 0.0 112.812 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -54.17 -37.84 64.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.41 -0.807 . . . . 0.0 110.889 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -76.02 -35.04 59.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.76 -1.213 . . . . 0.0 109.032 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -75.31 -56.46 8.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.192 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -25.51 7.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 108.932 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.91 -16.83 54.52 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.06 150.34 30.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.878 -1.139 . . . . 0.0 109.903 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.43 ' O ' ' OE1' ' A' ' 72' ' ' GLN . 10.1 m-20 -65.64 150.78 47.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.977 -1.077 . . . . 0.0 108.644 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.44 -27.41 4.68 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 mmt -92.23 123.24 63.08 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.569 -0.96 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD3' HH11 ' A' ' 38' ' ' ARG . 94.6 Cg_exo -41.79 144.6 0.86 Allowed 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.782 1.655 . . . . 0.0 112.329 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.03 38.98 3.15 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -138.02 126.29 23.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.524 -0.986 . . . . 0.0 109.109 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -52.25 -44.66 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.149 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -38.44 65.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.21 -0.931 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.7 54.77 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.86 -50.31 75.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.157 -1.202 . . . . 0.0 108.089 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 36.8 m-70 -54.97 -26.78 38.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.397 -0.814 . . . . 0.0 109.082 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.435 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.6 t80 -58.69 -76.97 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.564 HH21 HE22 ' A' ' 42' ' ' GLN . 7.7 ptm180 -56.62 -29.23 61.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.209 -0.932 . . . . 0.0 110.088 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.89 -54.75 34.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.899 -1.126 . . . . 0.0 110.657 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 10.0 p30 -74.32 -40.92 61.91 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.236 -0.915 . . . . 0.0 110.149 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.65 -37.94 81.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.083 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.564 HE22 HH21 ' A' ' 38' ' ' ARG . 87.3 mt-30 -84.14 -36.98 22.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.031 -1.043 . . . . 0.0 109.942 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 49.73 2.0 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.486 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 40.8 m0 -65.58 155.35 36.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.308 -1.113 . . . . 0.0 109.559 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.6 m -75.47 163.41 27.43 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -141.97 142.58 32.98 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 122.671 1.224 . . . . 0.0 111.39 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -127.82 127.19 43.05 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -70.94 131.67 44.06 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.877 0.846 . . . . 0.0 111.47 -177.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -111.77 142.05 44.62 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.6 mt-10 -130.67 -44.02 1.1 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.256 -0.903 . . . . 0.0 110.221 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -37.23 -25.76 0.01 OUTLIER Glycine 0 N--CA 1.499 2.835 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.8 t -88.61 142.69 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.998 -1.295 . . . . 0.0 109.391 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' NZ ' ' N3 ' ' B' ' 112' ' ' ' DA' . 0.2 OUTLIER -51.01 171.82 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.953 -179.445 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 77.83 -33.77 1.66 Allowed Glycine 0 N--CA 1.486 2.005 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.05 -30.53 0.3 Allowed Glycine 0 N--CA 1.493 2.44 0 O-C-N 120.905 -1.35 . . . . 0.0 110.313 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.4 mttp -64.66 -2.13 2.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.064 -1.257 . . . . 0.0 109.3 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.67 128.48 36.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 111.492 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 58' ' ' VAL . 18.6 m -138.11 130.83 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.96 164.06 12.69 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.12 -0.988 . . . . 0.0 110.005 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -117.58 150.24 39.32 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 59.3 t0 -77.69 121.9 24.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.081 -1.012 . . . . 0.0 110.798 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.95 -27.28 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.5 mmt -74.64 -6.45 48.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.797 -0.564 . . . . 0.0 110.224 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 p -102.58 -5.66 23.67 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.486 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.0 mmt -72.63 150.44 91.12 Favored Pre-proline 0 C--N 1.304 -1.386 0 O-C-N 121.507 -0.746 . . . . 0.0 109.445 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' THR . 82.3 Cg_exo -41.27 139.1 1.78 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 121.607 1.538 . . . . 0.0 111.051 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 66' ' ' PRO . 15.0 m -40.87 -58.65 1.63 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.323 -0.86 . . . . 0.0 110.209 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -53.33 -47.51 69.25 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.843 . . . . 0.0 109.284 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.33 -36.94 71.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.215 -178.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -54.46 -47.72 72.61 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.807 -1.183 . . . . 0.0 109.902 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.02 -58.24 9.25 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.618 -0.676 . . . . 0.0 110.105 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' A' ' 69' ' ' GLU . 10.7 pt20 -62.64 -35.86 80.95 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 118.164 -1.414 . . . . 0.0 109.429 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 69' ' ' GLU . 60.1 t -70.33 -48.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' GLY . 50.9 mt -62.67 -37.66 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.47 72.76 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -63.19 -42.36 99.34 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.7 -34.34 69.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 79.9 37.86 21.26 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt -100.61 -83.72 0.44 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.278 -1.13 . . . . 0.0 108.913 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.44 ' H ' HG23 ' A' ' 74' ' ' ILE . 7.2 t 54.31 -178.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.48 -0.762 . . . . 0.0 109.871 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.591 -179.857 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.449 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.567 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.423 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.52 1 O4'-C1'-N19 111.225 4.281 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.928 0 C3'-C2'-C1' 107.23 3.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.506 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 111.117 4.146 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.438 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.743 3.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.55 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.55 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.067 0 O4'-C1'-N19 110.38 3.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.456 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.573 0 O4'-C1'-N19 110.982 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.621 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.996 1 O4'-C1'-N19 111.425 4.532 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.621 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.131 1 O4'-C1'-N19 111.329 4.412 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.435 H2'' " O5'" ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.81 3.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.561 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.878 1 O4'-C1'-N19 111.791 4.989 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.561 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.714 4.892 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.492 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C1'-N19 110.925 3.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.549 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.798 3.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.549 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.712 0 O4'-C1'-N19 110.51 3.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.663 ' H6 ' " O5'" ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.568 0 C3'-C2'-C1' 107.237 3.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.641 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.932 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.481 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.665 1 O4'-C1'-N19 111.706 4.882 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.481 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 111.472 4.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.409 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.533 4.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.653 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.893 0 O4'-C1'-N19 110.782 3.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.653 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.442 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.29 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.653 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C1'-N19 110.929 3.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.653 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.293 4.366 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.427 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.738 3.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.482 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.639 3.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.482 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 111.295 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.447 3.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.9 t -160.87 175.56 12.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 109.837 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.549 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.4 mt -142.2 162.41 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.549 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.0 m95 -144.48 155.41 43.7 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.775 -0.578 . . . . 0.0 109.547 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -149.81 156.15 41.31 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.223 -0.923 . . . . 0.0 111.051 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -82.0 149.82 63.79 Favored Pre-proline 0 N--CA 1.488 1.465 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.91 -43.5 6.94 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.945 1.763 . . . . 0.0 112.587 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -55.42 -39.5 70.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.526 -0.734 . . . . 0.0 111.052 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.27 -32.7 66.87 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.763 -1.21 . . . . 0.0 108.467 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.442 ' C ' ' N ' ' A' ' 24' ' ' ALA . 61.4 mt -76.92 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.685 -0.634 . . . . 0.0 110.278 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.12 -18.47 0.57 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 22' ' ' ILE . . . -80.55 -18.46 48.34 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.04 163.93 26.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 0.0 109.9 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' MET . 8.8 t70 -65.04 -76.21 0.08 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.382 -0.823 . . . . 0.0 111.671 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' H ' ' HG3' ' A' ' 72' ' ' GLN . . . -48.15 -9.41 0.07 OUTLIER Glycine 0 N--CA 1.496 2.665 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -178.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 26' ' ' ASP . 13.1 mmt -100.59 134.35 20.67 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.218 -1.166 . . . . 0.0 110.744 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 87.0 Cg_exo -45.06 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.084 1.856 . . . . 0.0 112.73 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.94 38.69 2.61 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -145.54 134.32 22.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.389 -1.065 . . . . 0.0 108.791 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.28 -45.32 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.042 -1.036 . . . . 0.0 109.084 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.06 64.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.186 -0.946 . . . . 0.0 108.678 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.47 -40.29 92.02 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.68 -53.53 41.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.218 -1.166 . . . . 0.0 108.398 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.519 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.6 m-70 -50.38 -29.77 10.8 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.351 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' HA ' HD21 ' A' ' 40' ' ' ASN . 30.2 t80 -60.52 -74.99 0.07 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 34.6 ttm180 -53.74 -30.74 45.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.338 -0.851 . . . . 0.0 109.547 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -56.0 -53.33 58.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 110.519 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -73.61 -44.93 55.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 110.054 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 65.6 t -52.43 -45.91 46.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.249 -0.981 . . . . 0.0 109.172 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -86.83 -44.24 11.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 109.177 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 93.27 58.96 1.25 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 27.3 m0 -68.05 159.23 31.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.327 -1.102 . . . . 0.0 109.837 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -74.4 154.83 38.63 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -142.5 131.18 22.66 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 122.729 1.252 . . . . 0.0 112.2 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 21.1 ttm-85 -97.51 140.52 31.81 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -76.8 125.2 28.87 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.542 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -103.25 141.32 36.1 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 52' ' ' VAL . 36.2 mt-10 -126.4 -37.95 2.16 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.428 -0.795 . . . . 0.0 110.09 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.17 -35.24 0.01 OUTLIER Glycine 0 N--CA 1.502 3.097 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 50' ' ' GLU . 39.7 t -89.85 127.66 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.372 -1.075 . . . . 0.0 108.631 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -57.65 115.67 2.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.107 -0.995 . . . . 0.0 108.859 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.1 -33.47 0.3 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.87 -38.94 1.1 Allowed Glycine 0 N--CA 1.493 2.454 0 O-C-N 121.206 -1.173 . . . . 0.0 110.9 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.659 ' HB2' ' HZ3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -77.21 -1.74 31.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.94 -1.329 . . . . 0.0 109.898 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.22 131.67 47.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.993 . . . . 0.0 110.051 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' VAL . 20.9 m -144.73 134.71 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.364 -0.835 . . . . 0.0 109.402 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -96.18 170.1 9.49 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.198 -0.939 . . . . 0.0 109.467 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -120.77 150.4 41.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.422 -0.799 . . . . 0.0 109.438 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -80.06 110.97 15.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 110.211 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.15 -29.28 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.239 -0.913 . . . . 0.0 108.903 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.9 mmt -71.16 -0.48 9.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.467 -0.771 . . . . 0.0 109.214 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.3 p -107.98 -10.39 15.51 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 mtt -73.48 144.36 83.68 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 120.905 -1.122 . . . . 0.0 108.073 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.4 Cg_exo -42.26 139.79 2.63 Favored 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 121.005 1.137 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 9.1 m -41.15 -61.18 1.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.327 -0.858 . . . . 0.0 110.491 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -51.89 -44.99 63.99 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.929 -1.107 . . . . 0.0 109.059 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -63.7 -54.49 34.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.838 . . . . 0.0 110.446 -179.405 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -57.6 -28.56 63.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.096 -1.003 . . . . 0.0 109.812 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -62.83 -38.67 91.68 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.807 -1.183 . . . . 0.0 108.507 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.484 ' HG3' ' H ' ' A' ' 27' ' ' GLY . 32.0 mm-40 -64.39 -41.19 96.8 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.749 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' LEU . 3.2 t -71.34 -56.39 10.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 79' ' ' LEU . 43.5 mt -54.32 -37.43 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.59 -42.79 33.83 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.076 -1.015 . . . . 0.0 108.571 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -63.5 -33.88 76.55 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . 57.3 mt -71.69 -46.98 57.11 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.01 21.07 5.05 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' HB2' HG23 ' A' ' 74' ' ' ILE . 6.0 mp -91.11 -37.87 13.12 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.028 -1.277 . . . . 0.0 108.152 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.442 ' HB2' HG22 ' A' ' 74' ' ' ILE . 35.3 t -57.59 -166.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.66 -0.65 . . . . 0.0 109.897 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.519 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.472 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.443 3.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.493 " H2'" ' H72' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.507 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.493 ' H72' " H2'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.463 3.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.472 H2'' " O5'" ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.472 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.468 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.589 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.589 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.709 3.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.52 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.771 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.52 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 111.277 4.346 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.489 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.904 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.622 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.176 1 O4'-C1'-N19 111.714 4.893 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.622 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 112.23 5.537 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.566 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.583 0 O4'-C1'-N19 110.502 3.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.549 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.292 4.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.43 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.651 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.889 0 C3'-C2'-C1' 106.967 3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.651 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.519 ' C6 ' ' C6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.902 5.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.519 ' C6 ' ' C6 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.285 1 O4'-C1'-N19 111.691 4.863 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.183 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.693 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.166 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.693 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.85 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.412 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.444 ' O2 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.536 3.154 1 O4'-C1'-N19 111.712 4.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.601 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.738 0 C3'-C2'-C1' 107.054 3.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.601 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.232 4.29 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.504 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 111.107 4.134 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.479 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.922 0 O4'-C1'-N19 110.42 3.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.442 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.938 3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.442 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.21 4.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 14' ' ' SER . 21.9 ttpt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.403 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 21.4 t -160.71 173.57 15.23 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.276 -0.89 . . . . 0.0 109.401 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 16' ' ' TRP . 62.1 mt -141.84 164.87 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.55 ' N ' HG22 ' A' ' 15' ' ' ILE . 32.1 m95 -148.18 153.28 38.58 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 109.776 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 6.0 m -151.81 153.9 35.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.3 -0.875 . . . . 0.0 110.782 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.51 162.3 63.86 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.75 -35.16 97.66 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.104 1.869 . . . . 0.0 111.433 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.5 -40.7 87.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.521 -0.737 . . . . 0.0 110.18 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -73.11 -35.13 66.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.995 -1.065 . . . . 0.0 108.961 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.526 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 86.6 mt -74.09 -58.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.71 -0.619 . . . . 0.0 111.009 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.67 -24.16 3.14 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.038 -1.039 . . . . 0.0 108.682 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -18.02 47.31 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.838 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB1' ' HA ' ' A' ' 73' ' ' VAL . . . -79.28 151.27 31.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.934 -1.104 . . . . 0.0 109.951 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.24 149.54 49.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.03 -25.29 6.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.526 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 12.2 mmt -93.66 136.99 23.44 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.589 -0.948 . . . . 0.0 109.467 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 79.9 Cg_exo -42.68 171.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.644 1.562 . . . . 0.0 112.083 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.33 30.98 6.95 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -143.79 139.57 29.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.358 -1.083 . . . . 0.0 109.087 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.9 t -54.39 -41.46 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.54 69.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.039 . . . . 0.0 109.551 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.01 -37.8 23.33 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.8 -57.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.212 -1.17 . . . . 0.0 108.4 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.51 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 43.8 m-70 -51.08 -25.75 5.45 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.344 -0.848 . . . . 0.0 109.637 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 31.6 t80 -61.13 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.291 -0.88 . . . . 0.0 109.312 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.666 HH21 HE22 ' A' ' 42' ' ' GLN . 7.2 ptm180 -56.06 -29.05 59.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.878 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.6 -51.34 67.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.926 -1.109 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.8 p30 -73.62 -41.99 62.06 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.079 -1.013 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.8 t -64.51 -38.96 83.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.705 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.666 HE22 HH21 ' A' ' 38' ' ' ARG . 92.3 mt-30 -85.12 -30.21 24.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.213 -0.93 . . . . 0.0 109.895 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.66 53.9 3.08 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -68.06 149.82 49.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -1.187 . . . . 0.0 109.85 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -72.55 153.77 41.14 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -142.34 131.25 22.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.756 -1.215 . . . . 0.0 111.832 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp180 -105.8 135.4 47.29 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.49 131.82 43.04 Favored 'General case' 0 C--N 1.292 -1.935 0 O-C-N 121.336 -0.853 . . . . 0.0 111.061 -178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 47.0 tttt -119.78 126.56 51.32 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.8 mt-10 -117.58 -38.31 3.32 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.336 -0.852 . . . . 0.0 110.784 -177.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.81 -30.89 0.01 OUTLIER Glycine 0 N--CA 1.501 2.985 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 50' ' ' GLU . 46.0 t -90.15 144.65 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.082 -1.246 . . . . 0.0 110.132 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.447 ' NZ ' " C1'" ' B' ' 113' ' ' ' DA' . 6.2 ttmm -55.63 144.89 25.1 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.48 -45.85 1.22 Allowed Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 -41.52 3.04 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.061 -1.258 . . . . 0.0 110.526 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.558 ' NZ ' ' N3 ' ' B' ' 110' ' ' ' DG' . 23.3 mttm -66.71 -14.26 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.95 -1.324 . . . . 0.0 109.714 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . -43.72 125.81 4.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.285 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.2 p -142.34 129.32 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -94.04 165.97 12.38 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.852 -1.155 . . . . 0.0 109.873 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.6 148.87 43.97 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -80.31 114.04 18.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 111.283 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.05 -27.37 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mtt -72.21 -2.57 19.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.6 p -106.91 -13.75 15.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.262 -0.899 . . . . 0.0 108.971 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mtt -72.07 158.44 87.63 Favored Pre-proline 0 N--CA 1.487 1.382 0 O-C-N 121.052 -1.03 . . . . 0.0 109.455 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.15 141.2 1.14 Allowed 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.125 1.883 . . . . 0.0 111.592 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.9 m -46.23 -56.55 5.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.074 -1.016 . . . . 0.0 109.692 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -50.55 -47.45 57.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -60.03 -37.15 78.92 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 110.589 -179.083 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -54.9 -53.04 60.61 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.032 -1.042 . . . . 0.0 111.409 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.48 -55.08 35.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 110.639 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.19 -38.37 86.27 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.713 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 69' ' ' GLU . 78.1 t -69.45 -47.46 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.549 HG23 ' H ' ' A' ' 80' ' ' SER . 39.2 mt -60.88 -42.63 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.15 85.17 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -64.36 -38.79 92.27 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -71.97 -38.53 69.72 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 86.83 34.27 11.47 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt -96.9 -80.68 0.43 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.299 -1.118 . . . . 0.0 109.254 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.549 ' H ' HG23 ' A' ' 74' ' ' ILE . 1.9 t 64.69 -176.39 0.17 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.418 -0.802 . . . . 0.0 109.731 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 49.0 p . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.461 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 0 O4'-C1'-N19 110.524 3.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.436 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.657 3.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.55 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O4'-C1'-N19 110.513 3.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.55 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.226 4.283 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.438 " H2'" ' H72' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.487 0 O4'-C1'-N19 110.8 3.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.564 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.564 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.006 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.475 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.818 1 O4'-C1'-N19 111.026 4.032 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.558 ' N3 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.533 2.758 1 O4'-C1'-N19 111.152 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.263 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.802 3.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.561 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.034 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.561 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.081 1 O4'-C1'-N19 111.718 4.897 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.45 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.222 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.448 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.652 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.804 0 C3'-C2'-C1' 107.243 3.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.652 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.986 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.527 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.892 5.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.527 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.083 1 O4'-C1'-N19 111.626 4.783 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.551 4.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.707 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.131 4.163 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.707 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.555 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.494 ' C5 ' ' C4 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.569 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.48 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.411 1 O4'-C1'-N19 111.7 4.875 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.619 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.348 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.619 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.443 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.491 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.371 3.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.491 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.705 1 O4'-C1'-N19 111.075 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.421 H2'' " O5'" ' C' ' 135' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.927 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . 0.421 " O5'" H2'' ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.447 0 O4'-C1'-N19 110.742 3.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tttt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.446 0.641 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -161.7 169.79 20.88 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.44 -0.788 . . . . 0.0 109.091 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 16' ' ' TRP . 63.0 mt -143.62 163.83 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.539 ' N ' HG22 ' A' ' 15' ' ' ILE . 20.6 m95 -148.69 154.71 40.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.664 -0.648 . . . . 0.0 109.481 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 34.1 m -150.67 158.36 44.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.568 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.4 m -80.64 146.62 61.1 Favored Pre-proline 0 N--CA 1.488 1.452 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.55 -46.35 4.55 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 121.919 1.746 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.27 -31.82 65.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.448 -0.783 . . . . 0.0 111.161 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -74.02 -41.03 62.45 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.796 -1.19 . . . . 0.0 109.059 -179.596 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -74.21 -52.6 19.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 110.215 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -51.58 -23.72 4.54 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 0.0 108.448 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.06 -15.17 54.44 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.885 -0.509 . . . . 0.0 109.862 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.08 29.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.999 -1.063 . . . . 0.0 109.5 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.99 154.86 29.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.079 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.4 -17.46 24.17 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -91.82 148.79 37.85 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 109.628 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -35.57 -61.82 0.26 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.725 2.284 . . . . 0.0 113.145 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.43 17.68 8.02 Favored Glycine 0 N--CA 1.498 2.821 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -145.45 142.21 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.534 -0.98 . . . . 0.0 108.906 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.2 -55.58 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.945 -1.097 . . . . 0.0 108.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.49 74.2 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.18 -39.73 65.0 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.37 -58.35 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.13 -1.218 . . . . 0.0 108.189 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.498 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 61.2 m-70 -46.68 -38.2 9.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.299 -0.876 . . . . 0.0 109.638 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.543 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 23.8 t80 -56.49 -75.72 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -32.29 62.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 110.147 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.11 78.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.824 -1.173 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.5 p30 -73.16 -43.12 61.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.03 -1.044 . . . . 0.0 109.935 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.85 -40.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.305 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.469 ' HA ' HE21 ' A' ' 42' ' ' GLN . 0.8 OUTLIER -86.16 -45.88 10.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.487 -0.758 . . . . 0.0 109.56 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.6 56.0 0.78 Allowed Glycine 0 N--CA 1.496 2.684 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -67.11 140.17 57.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.378 -1.071 . . . . 0.0 109.907 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -72.48 147.69 45.81 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -138.98 132.67 30.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.788 -1.195 . . . . 0.0 111.984 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.539 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 12.4 ttm180 -101.25 139.3 37.12 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -71.98 130.64 41.46 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 121.282 -0.886 . . . . 0.0 110.227 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 57' ' ' ALA . 56.5 tttt -114.14 143.96 43.95 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.9 mm-40 -130.63 -39.11 1.28 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.193 -0.942 . . . . 0.0 110.39 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.11 -35.37 0.01 OUTLIER Glycine 0 N--CA 1.502 3.065 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.2 t -93.18 145.27 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.208 -1.171 . . . . 0.0 109.701 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 52' ' ' VAL . 19.5 mttp -51.24 -177.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.31 -0.869 . . . . 0.0 109.295 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 83.3 -38.89 2.76 Favored Glycine 0 N--CA 1.489 2.219 0 C-N-CA 120.292 -0.956 . . . . 0.0 110.717 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.41 -35.61 0.56 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.741 ' HZ2' ' N2 ' ' B' ' 110' ' ' ' DG' . 19.0 mtmm -67.15 -1.89 4.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -1.15 . . . . 0.0 109.148 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -60.66 120.65 10.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.278 -0.889 . . . . 0.0 111.504 -178.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 58' ' ' VAL . 34.5 m -136.04 131.85 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -95.42 166.44 11.87 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.125 -0.984 . . . . 0.0 110.018 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -117.16 149.68 39.97 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -79.42 114.85 18.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 111.171 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.41 -27.5 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.177 -0.952 . . . . 0.0 108.534 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.87 -4.07 18.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.9 p -102.63 -6.78 22.38 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.612 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.8 146.45 95.55 Favored Pre-proline 0 N--CA 1.481 1.097 0 O-C-N 121.133 -0.979 . . . . 0.0 108.618 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 69' ' ' GLU . 78.4 Cg_exo -40.87 128.82 2.78 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.249 1.299 . . . . 0.0 110.123 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 66' ' ' PRO . 27.6 m -33.02 -58.17 0.37 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.689 -0.632 . . . . 0.0 111.023 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -54.56 -45.98 73.59 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.858 -1.151 . . . . 0.0 108.698 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' PRO . 64.0 mm-40 -65.54 -49.09 70.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.535 -0.728 . . . . 0.0 112.005 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -53.89 -42.37 68.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.404 -1.435 . . . . 0.0 109.412 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.9 -38.0 89.19 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -64.16 -41.01 97.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.0 -56.88 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.529 ' CG2' ' H ' ' A' ' 80' ' ' SER . 82.4 mt -51.11 -41.13 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.92 84.55 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.74 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -63.8 -37.81 88.75 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.3 mt -70.74 -38.76 73.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 90.06 36.2 7.28 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.5 mp -87.79 -81.63 0.24 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.518 -0.989 . . . . 0.0 108.412 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.529 ' H ' ' CG2' ' A' ' 74' ' ' ILE . 5.0 t 60.27 -170.05 0.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.603 -0.686 . . . . 0.0 109.575 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 80' ' ' SER . 56.3 p . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 118.026 -0.987 . . . . 0.0 109.644 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.52 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.671 0 C3'-C2'-C1' 107.012 3.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.498 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.552 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.552 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.542 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.546 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.559 1 O4'-C1'-N19 111.652 4.814 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.546 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.115 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.407 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.64 1 O4'-C1'-N19 111.193 4.241 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.741 ' N2 ' ' HZ2' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.888 1 O4'-C1'-N19 111.469 4.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.592 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.319 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.592 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.538 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.649 1 O4'-C1'-N19 111.762 4.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.538 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.735 4.919 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.038 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.419 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 0 O4'-C1'-N19 110.735 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.672 ' H6 ' " O5'" ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 C3'-C2'-C1' 107.216 3.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.629 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.093 0 O4'-C1'-N19 110.888 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.486 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.66 1 O4'-C1'-N19 111.752 4.94 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.465 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.229 1 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.447 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.542 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.107 4.133 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.542 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 111.529 4.662 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.471 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.487 ' O2 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.542 3.932 1 O4'-C1'-N19 111.409 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.645 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.4 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.645 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.546 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.376 3.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.546 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.507 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.386 4.483 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.594 3.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB3' ' HZ2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 t -161.86 175.23 12.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.332 -0.855 . . . . 0.0 109.743 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.8 mt -141.41 161.85 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 17.2 m95 -144.98 153.6 41.68 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 21.2 m -150.54 155.22 39.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 111.327 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.86 164.04 55.13 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 177.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.53 -33.83 98.35 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.015 1.81 . . . . 0.0 111.346 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.84 -36.22 78.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.372 -0.83 . . . . 0.0 110.594 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -77.91 -35.78 50.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.003 -1.06 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.46 -52.53 19.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -25.99 22.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -14.93 57.63 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.136 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.74 154.5 29.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.8 -1.187 . . . . 0.0 110.17 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 28' ' ' MET . 13.2 m-20 -66.95 153.64 43.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.965 -1.084 . . . . 0.0 108.678 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.03 -23.9 3.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.411 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.7 mmt -91.21 152.69 44.22 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.392 -1.063 . . . . 0.0 109.414 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD3' HH11 ' A' ' 38' ' ' ARG . 18.2 Cg_endo -59.57 169.27 4.38 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.111 1.874 . . . . 0.0 111.84 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.92 36.94 3.77 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' H ' ' A' ' 34' ' ' GLY . 0.7 OUTLIER -145.26 133.64 21.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.92 . . . . 0.0 109.029 -179.238 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 32' ' ' VAL . 14.0 t -53.19 -43.42 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.154 -0.966 . . . . 0.0 109.116 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.93 72.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.247 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' H ' ' HB2' ' A' ' 31' ' ' SER . . . -50.29 -42.6 41.97 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.33 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.163 -1.198 . . . . 0.0 108.526 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.459 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 37.6 m-70 -59.08 -25.35 63.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.282 -0.886 . . . . 0.0 109.454 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.5 t80 -59.98 -77.39 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 29' ' ' PRO . 8.4 ptm180 -52.47 -41.02 62.97 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 110.138 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.25 -31.17 68.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 4.2 p30 -76.83 -44.95 30.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.775 -1.203 . . . . 0.0 109.695 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.54 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.3 p -78.37 -28.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 119.414 -0.914 . . . . 0.0 110.013 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.469 HE22 ' HG3' ' A' ' 66' ' ' PRO . 52.2 mt-30 -83.29 -21.85 33.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.899 -1.126 . . . . 0.0 109.066 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.03 54.58 11.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -65.3 158.39 26.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -1.176 . . . . 0.0 109.014 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.12 158.69 36.02 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -139.94 138.89 35.95 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.539 1.161 . . . . 0.0 111.658 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 5.2 ttp180 -128.63 115.97 18.87 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.16 119.93 19.04 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.59 174.06 7.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.041 -1.037 . . . . 0.0 108.442 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 52' ' ' VAL . 23.6 mt-10 -131.64 -32.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.204 -0.935 . . . . 0.0 110.25 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.72 25.21 0.03 OUTLIER Glycine 0 N--CA 1.497 2.735 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.586 ' H ' ' C ' ' A' ' 50' ' ' GLU . 18.5 t -142.83 130.3 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.948 -1.324 . . . . 0.0 109.088 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 55' ' ' GLY . 67.7 mttt -47.38 175.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.794 0.807 . . . . 0.0 110.044 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.55 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 71.03 -34.59 0.51 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 69.05 -25.22 0.31 Allowed Glycine 0 N--CA 1.49 2.257 0 O-C-N 120.881 -1.364 . . . . 0.0 109.722 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 54' ' ' GLY . 35.2 mttm -60.86 -20.09 61.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.289 . . . . 0.0 108.494 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.55 125.29 8.15 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.512 0.672 . . . . 0.0 110.134 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -140.31 127.18 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.416 -0.803 . . . . 0.0 109.242 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 1.4 mp0 -92.56 171.52 8.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.175 -0.953 . . . . 0.0 108.722 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.459 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 27.8 m-85 -131.5 148.67 52.65 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.52 ' O ' ' SD ' ' A' ' 65' ' ' MET . 53.2 t0 -76.29 116.82 17.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.46 -25.14 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mmt -70.98 -0.23 8.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 0.0 109.128 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 p -110.65 -8.36 14.6 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.651 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.99 151.59 96.11 Favored Pre-proline 0 N--CA 1.483 1.188 0 O-C-N 121.183 -0.948 . . . . 0.0 109.935 -179.202 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' HG3' HE22 ' A' ' 42' ' ' GLN . 92.5 Cg_exo -41.85 142.9 1.27 Allowed 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 121.523 1.482 . . . . 0.0 110.683 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -46.94 -51.11 17.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.939 -1.101 . . . . 0.0 108.664 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 68' ' ' LYS . 87.6 mttt -54.75 -53.44 55.0 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.006 179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.0 -35.37 69.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.22 -0.925 . . . . 0.0 110.692 -178.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -55.04 -54.26 45.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.816 -1.177 . . . . 0.0 110.798 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.44 -32.93 70.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.956 -1.09 . . . . 0.0 109.621 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -65.54 -48.45 72.39 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.558 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.1 -54.12 24.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.62 -43.56 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.66 74.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.07 -1.018 . . . . 0.0 108.858 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.8 -37.15 86.29 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 77' ' ' LEU . 21.3 mt -71.57 -40.86 69.66 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.1 31.43 6.57 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mt -93.38 -38.53 11.42 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.247 -1.149 . . . . 0.0 108.799 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.75 166.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.673 -0.642 . . . . 0.0 109.48 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.515 -179.895 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.451 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.353 3.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.491 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.491 ' H71' " H2'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.555 3.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.424 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.556 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.566 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.566 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.611 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.568 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.568 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.388 4.485 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.564 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 110.735 3.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.516 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.598 1 O4'-C1'-N19 111.91 5.138 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.516 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.327 4.408 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.479 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.241 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.522 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.325 4.407 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.522 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.659 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.652 0 C3'-C2'-C1' 106.697 2.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.659 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.432 4.539 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.424 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.859 5.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.641 4.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.418 4.522 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.603 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.603 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.092 4.114 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.609 0 O4'-C1'-N19 110.781 3.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 1 O4'-C1'-N19 111.276 4.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.667 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.97 3.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.667 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.81 1 O4'-C1'-N19 111.007 4.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.555 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.611 0 O4'-C1'-N19 110.809 3.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.555 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.302 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.409 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.402 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.611 3.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 tttp . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 t -161.01 172.34 17.05 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.494 -0.754 . . . . 0.0 109.409 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 16' ' ' TRP . 63.3 mt -142.3 163.45 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' N ' HG22 ' A' ' 15' ' ' ILE . 24.0 m95 -146.79 154.28 41.19 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.7 m -151.41 159.41 44.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.226 -0.921 . . . . 0.0 110.976 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.01 163.38 60.46 Favored Pre-proline 0 C--N 1.303 -1.446 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.89 -37.63 84.61 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.006 1.804 . . . . 0.0 111.667 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.94 -30.04 68.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.43 -0.794 . . . . 0.0 110.744 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.81 -40.29 40.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.895 -1.128 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.94 -51.35 27.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.588 -0.695 . . . . 0.0 110.114 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -28.6 35.6 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.323 -0.861 . . . . 0.0 108.984 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.81 -13.2 59.59 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.796 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.82 150.96 32.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.95 -1.094 . . . . 0.0 109.882 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.8 147.45 53.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.36 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.18 -23.64 5.99 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 29' ' ' PRO . 11.6 mmt -93.58 140.84 23.24 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.368 -1.078 . . . . 0.0 109.412 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 28' ' ' MET . 83.6 Cg_exo -41.89 171.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.91 1.74 . . . . 0.0 112.538 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.84 30.94 5.71 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.37 137.11 24.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.518 -0.99 . . . . 0.0 108.616 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.38 -50.13 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.19 -0.944 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.6 -40.46 79.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.051 -1.03 . . . . 0.0 108.429 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.89 -34.62 45.84 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -65.69 -63.59 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.124 -1.221 . . . . 0.0 109.072 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.455 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 47.2 m-70 -48.89 -25.64 2.02 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.573 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 20.6 t80 -61.0 -75.05 0.07 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.303 -0.873 . . . . 0.0 109.0 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.73 HH21 HE22 ' A' ' 42' ' ' GLN . 48.1 mtp180 -52.31 -35.81 51.51 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.027 . . . . 0.0 109.419 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.77 -54.0 27.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.427 -0.796 . . . . 0.0 110.666 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.7 p30 -74.29 -43.96 54.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.043 -1.035 . . . . 0.0 109.783 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.36 -41.59 87.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.489 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.73 HE22 HH21 ' A' ' 38' ' ' ARG . 64.4 mt-30 -86.66 -41.75 13.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.74 49.82 1.9 Allowed Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -65.93 148.22 52.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -1.123 . . . . 0.0 109.461 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.5 m -71.47 156.89 38.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -141.87 128.92 20.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.671 1.224 . . . . 0.0 112.303 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -101.11 128.08 47.36 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -71.22 123.62 22.63 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 121.287 -0.883 . . . . 0.0 110.28 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ALA . 57.0 tttp -104.17 136.04 44.53 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.8 mt-10 -131.0 -38.77 1.23 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.249 -0.907 . . . . 0.0 110.675 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -32.08 -32.16 0.01 OUTLIER Glycine 0 N--CA 1.503 3.137 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 41.0 t -90.61 155.05 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.196 -1.179 . . . . 0.0 109.577 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' GLY . 70.8 mttt -50.65 -175.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.338 -0.851 . . . . 0.0 110.11 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.66 -39.29 0.18 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 70.18 -21.62 0.51 Allowed Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.015 -1.285 . . . . 0.0 110.044 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.8 mtpp -69.82 -14.07 62.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.096 -1.238 . . . . 0.0 109.326 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -47.49 134.36 12.1 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.421 -0.799 . . . . 0.0 110.855 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.53 126.81 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -94.48 168.91 10.57 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.97 -1.081 . . . . 0.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -124.61 150.87 45.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' SD ' ' A' ' 65' ' ' MET . 20.2 t0 -77.3 113.73 15.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.219 -0.926 . . . . 0.0 111.132 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 88.1 t -62.94 -28.96 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.7 mmt -69.73 -2.52 12.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.265 -0.897 . . . . 0.0 108.732 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.2 p -101.56 -15.11 17.19 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.647 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.26 147.5 98.26 Favored Pre-proline 0 C--N 1.31 -1.12 0 O-C-N 121.227 -0.92 . . . . 0.0 108.914 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -40.15 142.27 0.61 Allowed 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.766 1.644 . . . . 0.0 111.192 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -43.86 -61.73 1.34 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.282 -0.887 . . . . 0.0 110.032 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -50.58 -46.52 57.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.22 -0.925 . . . . 0.0 109.4 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -59.78 -36.75 77.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.544 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -53.84 -45.42 70.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.901 -1.125 . . . . 0.0 109.587 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.677 -0.639 . . . . 0.0 109.329 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -63.91 -44.75 91.98 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.717 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 t -70.17 -52.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.625 HG23 ' H ' ' A' ' 80' ' ' SER . 20.9 mt -56.7 -37.0 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.299 -0.876 . . . . 0.0 108.652 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.89 51.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.71 -40.03 63.89 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.12 35.47 7.58 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.96 -85.65 0.33 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.293 -1.122 . . . . 0.0 109.076 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.625 ' H ' HG23 ' A' ' 74' ' ' ILE . 6.2 p 56.26 -165.46 0.13 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.413 -0.805 . . . . 0.0 109.618 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.412 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 0 O4'-C1'-N19 110.904 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.527 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.527 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.941 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.576 " H2'" ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.976 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.576 ' H72' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.305 3.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.469 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.576 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.576 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.468 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.506 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.1 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.597 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.088 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.597 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.484 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.612 1 O4'-C1'-N19 112.25 5.563 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.501 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.089 1 O4'-C1'-N19 111.816 5.02 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.501 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.537 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 111.323 4.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.537 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.022 0 O4'-C1'-N19 110.679 3.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.652 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 C3'-C2'-C1' 106.79 2.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.652 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.41 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 111.715 4.893 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.41 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.646 4.807 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 1 O4'-C1'-N19 111.241 4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.616 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.107 1 O4'-C1'-N19 111.248 4.309 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.616 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.204 4.256 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.173 0 O4'-C1'-N19 110.88 3.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.51 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.212 1 O4'-C1'-N19 111.259 4.324 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.512 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.336 3.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.512 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.189 0 O4'-C1'-N19 110.474 3.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.421 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.751 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.448 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.432 3.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.458 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 111.443 4.553 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.458 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 111.817 5.021 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 t -161.3 175.38 12.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 109.746 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 16' ' ' TRP . 65.5 mt -143.13 162.53 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.53 ' N ' HG22 ' A' ' 15' ' ' ILE . 18.7 m95 -145.35 155.55 43.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.739 -0.601 . . . . 0.0 109.662 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.8 m -151.46 156.42 40.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 110.919 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -81.66 150.88 67.28 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -41.88 -48.18 6.14 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.13 1.886 . . . . 0.0 112.714 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -56.08 -31.42 63.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.411 -0.806 . . . . 0.0 110.841 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.83 -37.19 56.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.791 -1.193 . . . . 0.0 108.679 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.6 mt -76.17 -51.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.674 -0.641 . . . . 0.0 110.336 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ptm -51.86 -29.36 19.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.274 -0.891 . . . . 0.0 108.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.36 -12.0 59.64 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.671 -0.643 . . . . 0.0 110.295 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.76 153.17 27.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.609 -1.307 . . . . 0.0 109.815 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -65.41 152.76 43.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 0.0 109.572 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.83 4.63 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.7 mmt -91.36 150.1 40.77 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.249 -1.148 . . . . 0.0 109.384 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 31' ' ' SER . 47.5 Cg_endo -69.91 126.92 13.76 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.025 1.817 . . . . 0.0 112.026 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.82 30.81 0.63 Allowed Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 29' ' ' PRO . 24.0 m -129.79 123.52 31.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.617 -0.931 . . . . 0.0 108.535 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 t -51.61 -40.32 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 109.493 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.89 60.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.042 -1.036 . . . . 0.0 108.862 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.49 -38.85 35.78 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.15 -51.58 69.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -1.188 . . . . 0.0 108.753 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.627 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 77.3 m-70 -56.66 -26.68 56.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.481 -0.762 . . . . 0.0 109.757 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.532 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.8 t80 -60.04 -73.23 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.646 HH21 HE22 ' A' ' 42' ' ' GLN . 7.5 ptm180 -54.81 -30.27 56.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.329 -0.857 . . . . 0.0 109.092 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.97 48.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.165 -0.96 . . . . 0.0 110.724 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 9.6 p30 -73.44 -38.43 65.52 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.143 -0.973 . . . . 0.0 109.935 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -69.2 -36.4 72.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.963 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.646 HE22 HH21 ' A' ' 38' ' ' ARG . 80.4 mt-30 -87.59 -24.66 23.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.6 51.93 3.9 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.531 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.5 m0 -67.56 144.9 55.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -1.106 . . . . 0.0 109.84 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.3 m -72.95 155.26 40.03 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -139.79 135.74 33.35 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.502 1.144 . . . . 0.0 112.176 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.4 123.9 51.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -74.43 125.8 29.34 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.521 -0.737 . . . . 0.0 111.232 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.448 ' NZ ' ' CD ' ' A' ' 59' ' ' GLU . 24.6 mtpp -70.39 -178.74 1.81 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.447 -0.783 . . . . 0.0 109.033 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -131.96 -60.27 0.92 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.11 -0.994 . . . . 0.0 111.454 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.21 1.47 49.16 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 121.283 -0.885 . . . . 0.0 112.81 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.6 t -91.05 128.25 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.388 -1.654 . . . . 0.0 110.43 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' A' ' 55' ' ' GLY . 30.4 mttp -53.66 -174.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.374 -0.829 . . . . 0.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.87 -31.19 0.24 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.23 -38.87 0.26 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.1 mtpp -62.5 -4.14 1.78 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.102 -1.234 . . . . 0.0 108.533 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -65.8 120.82 13.71 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.503 -0.748 . . . . 0.0 110.735 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.71 139.84 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.484 -0.76 . . . . 0.0 109.433 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' CD ' ' NZ ' ' A' ' 49' ' ' LYS . 23.3 mt-10 -92.7 173.64 7.67 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.244 -0.91 . . . . 0.0 108.647 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -128.28 149.86 50.31 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.435 -0.79 . . . . 0.0 108.947 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -75.65 118.56 18.61 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.279 -0.888 . . . . 0.0 110.778 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.437 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 77.2 t -64.21 -30.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 121.659 0.742 . . . . 0.0 109.399 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.81 -6.12 47.21 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.638 -0.664 . . . . 0.0 110.31 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.3 p -97.63 -8.61 28.51 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.531 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 18.7 mmt -73.82 150.37 88.39 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.78 -0.575 . . . . 0.0 109.657 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 79.9 Cg_exo -41.89 141.81 1.63 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.462 1.441 . . . . 0.0 110.89 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 17.3 m -43.47 -59.27 2.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.279 -0.888 . . . . 0.0 110.052 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -51.77 -47.68 64.04 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.289 -0.882 . . . . 0.0 109.334 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -58.32 -37.19 74.6 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.474 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -54.03 -47.28 71.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.883 -1.135 . . . . 0.0 109.744 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.22 -34.7 74.02 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.503 -0.748 . . . . 0.0 109.509 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.38 -50.91 68.04 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.977 -1.089 . . . . 0.0 108.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.65 -50.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.606 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.9 mt -55.36 -35.02 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.016 . . . . 0.0 109.205 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.04 -40.46 24.18 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.133 -0.979 . . . . 0.0 108.743 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.76 -35.4 80.47 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.76 -49.74 36.27 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.16 24.96 4.61 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.682 ' N ' HD12 ' A' ' 79' ' ' LEU . 7.6 mp -93.87 -39.23 10.81 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.798 -1.413 . . . . 0.0 108.948 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.1 p 55.54 -175.58 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.34 -0.85 . . . . 0.0 109.314 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.402 -179.822 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.438 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.421 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.901 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.606 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.4 3.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.606 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.397 4.496 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.402 3.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.494 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.076 4.095 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.54 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.54 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.937 3.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.566 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.035 1 O4'-C1'-N19 111.253 4.317 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.621 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.621 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.544 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 112.023 5.279 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.497 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.551 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.24 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.551 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.789 1 O4'-C1'-N19 111.054 4.068 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.701 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 C3'-C2'-C1' 107.158 3.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.701 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.015 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.488 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.671 1 O4'-C1'-N19 111.84 5.05 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.401 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.083 1 O4'-C1'-N19 111.721 4.901 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.468 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.943 1 O4'-C1'-N19 111.281 4.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.468 " O5'" H2'' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.343 4.429 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.467 H2'' " O5'" ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.478 1 O4'-C1'-N19 111.258 4.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.467 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 1 O4'-C1'-N19 111.258 4.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.627 ' P ' ' HE2' ' A' ' 36' ' ' HIS . . . . . . . . 0 C5'--C4' 1.531 2.483 0 O4'-C1'-N19 110.73 3.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.535 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-N19 110.899 3.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.505 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.93 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.609 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O4'-C1'-N19 110.48 3.351 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.609 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.46 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 111.183 4.228 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.379 0.609 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.4 t -159.57 171.47 19.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.885 . . . . 0.0 109.409 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 16' ' ' TRP . 69.8 mt -143.29 161.85 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.548 ' N ' HG22 ' A' ' 15' ' ' ILE . 20.9 m95 -144.51 159.02 43.47 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.139 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.485 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 21.2 m -148.86 154.89 40.13 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.87 -1.144 . . . . 0.0 111.246 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -82.47 151.45 65.46 Favored Pre-proline 0 N--CA 1.489 1.477 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.027 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.04 -52.65 2.74 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.201 1.934 . . . . 0.0 112.85 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -54.59 -30.99 56.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 111.04 -178.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -35.05 59.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.57 -1.331 . . . . 0.0 108.935 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 25' ' ' ALA . 67.9 mt -74.75 -60.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 110.221 -179.777 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -24.95 2.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -0.948 . . . . 0.0 109.033 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.97 -17.74 49.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -83.24 142.0 31.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.9 -1.125 . . . . 0.0 109.184 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.14 161.17 7.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.784 -1.198 . . . . 0.0 108.775 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.33 -19.81 7.96 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.457 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 29.1 mmt -92.0 148.54 37.12 Favored Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.155 -1.203 . . . . 0.0 109.682 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -35.94 -69.79 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.919 2.413 . . . . 0.0 113.46 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.27 4.01 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 108.856 -1.697 . . . . 0.0 108.856 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -144.58 136.36 25.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.415 -1.05 . . . . 0.0 108.277 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -47.71 -54.13 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.18 80.07 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.08 -1.012 . . . . 0.0 108.309 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.71 -38.7 73.6 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.734 -1.747 . . . . 0.0 108.734 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.04 -48.16 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.096 -1.238 . . . . 0.0 108.526 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.517 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 65.1 m-70 -62.69 -23.96 67.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.547 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 29.7 t80 -61.3 -74.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.341 -0.85 . . . . 0.0 109.051 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -55.62 -33.75 64.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -57.07 -49.55 75.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.947 -1.095 . . . . 0.0 110.84 -179.463 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.5 p30 -72.71 -42.57 64.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 109.524 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.3 -43.69 86.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.3 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.32 -43.09 11.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.422 -0.799 . . . . 0.0 109.707 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 94.63 58.5 1.19 Allowed Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -68.59 151.58 46.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.142 -1.211 . . . . 0.0 110.069 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -75.03 151.06 38.75 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.87 134.74 30.51 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 122.923 1.344 . . . . 0.0 112.606 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -99.34 126.04 45.12 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 47.2 tttp -74.94 124.23 26.54 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.314 -0.866 . . . . 0.0 111.151 -178.484 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 59' ' ' GLU . 24.8 mtpp -71.95 173.07 8.87 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.513 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -131.61 -56.39 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.25 -0.906 . . . . 0.0 110.529 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.4 -9.23 35.79 Favored Glycine 0 N--CA 1.496 2.666 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.135 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.61 129.81 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.511 -1.582 . . . . 0.0 110.243 -179.2 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 55' ' ' GLY . 41.0 mttp -51.23 -175.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.937 0.875 . . . . 0.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 64.26 -35.87 0.09 OUTLIER Glycine 0 N--CA 1.488 2.103 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.678 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 73.83 -27.2 0.93 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.5 mtpp -68.07 -10.76 56.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -1.147 . . . . 0.0 108.763 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.67 123.12 17.56 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.503 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.84 138.45 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.264 -0.897 . . . . 0.0 109.181 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 49' ' ' LYS . 43.2 mt-10 -92.27 167.98 11.64 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.184 -0.947 . . . . 0.0 108.594 179.227 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -119.16 147.42 44.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.5 -0.75 . . . . 0.0 108.996 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.27 120.09 21.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.396 -0.815 . . . . 0.0 110.989 -178.394 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 81.8 t -64.78 -29.77 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.335 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.7 mmt -74.08 -4.57 36.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.59 -0.694 . . . . 0.0 109.622 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.1 p -102.63 -6.26 22.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 mmt -71.54 152.7 93.81 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.646 -0.659 . . . . 0.0 109.537 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -44.42 142.81 4.2 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.515 1.476 . . . . 0.0 110.776 178.117 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -43.11 -60.93 1.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.311 -0.868 . . . . 0.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -52.85 -43.85 66.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -61.57 -35.24 77.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.888 -179.04 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -54.24 -59.66 4.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.07 -31.29 68.75 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -65.76 -53.41 40.84 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.636 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.53 -50.43 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.632 -0.667 . . . . 0.0 109.466 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mt -53.89 -29.16 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.17 -41.91 27.36 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -64.08 -38.0 89.48 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.445 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 77' ' ' LEU . 36.2 mt -72.21 -36.64 69.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.805 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.45 43.83 9.09 Favored Glycine 0 N--CA 1.485 1.94 0 N-CA-C 106.478 -2.649 . . . . 0.0 106.478 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -85.68 -76.29 0.34 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.386 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 t 63.61 176.86 0.16 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.379 179.955 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.431 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.401 3.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.431 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 110.644 3.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.601 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.732 0 C3'-C2'-C1' 107.299 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.601 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.441 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.563 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.572 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.988 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.572 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.54 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.187 4.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.171 1 O4'-C1'-N19 111.289 4.362 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.584 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.574 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 1 O4'-C1'-N19 111.861 5.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.574 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.426 4.532 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.522 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.855 3.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.633 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.848 0 C3'-C2'-C1' 107.321 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.633 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O4'-C1'-N19 110.594 3.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.499 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C1'-N19 111.649 4.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.473 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.467 4.584 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.478 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.153 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.654 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.878 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.654 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 111.064 4.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.416 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.877 3.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.431 4.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.617 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.635 3.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.617 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.158 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.427 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.512 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.49 0 O4'-C1'-N19 110.539 3.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.512 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.939 0 O4'-C1'-N19 110.359 3.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.483 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.532 0 O4'-C1'-N19 110.351 3.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.432 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 29.0 t -160.22 175.2 13.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.326 -0.859 . . . . 0.0 109.672 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.534 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 66.2 mt -143.33 161.64 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.534 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.3 m95 -145.06 160.13 41.87 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.323 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 43.4 m -147.17 160.94 41.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.954 -1.091 . . . . 0.0 110.871 -178.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -78.74 145.43 66.67 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.22 -50.82 4.23 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.696 1.597 . . . . 0.0 112.658 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.638 HE22 HG13 ' A' ' 32' ' ' VAL . 2.0 mm-40 -61.6 -25.03 67.08 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.387 -0.82 . . . . 0.0 111.185 -178.305 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -74.61 -36.19 62.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.51 -1.369 . . . . 0.0 108.88 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.0 mt -73.64 -55.27 12.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 O-C-N 121.741 -0.599 . . . . 0.0 110.212 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' PRO . 8.5 ptt? -54.27 -21.69 9.84 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.801 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.16 -18.0 50.93 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.11 27.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.136 -0.978 . . . . 0.0 109.898 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 28' ' ' MET . 22.2 m-20 -65.91 159.62 25.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.95 -1.093 . . . . 0.0 108.779 179.113 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -27.05 1.48 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.486 ' H ' ' C ' ' A' ' 26' ' ' ASP . 11.7 mmt -94.8 140.37 22.52 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.594 -0.944 . . . . 0.0 109.382 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 28' ' ' MET . 89.3 Cg_exo -44.79 179.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.899 1.733 . . . . 0.0 112.568 179.307 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.96 35.13 3.21 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -146.08 143.61 29.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.546 -0.973 . . . . 0.0 108.872 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.638 HG13 HE22 ' A' ' 20' ' ' GLN . 5.5 t -53.7 -50.16 52.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.221 -0.924 . . . . 0.0 109.43 -179.824 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.32 80.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.116 -0.99 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.35 -39.21 28.29 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.89 -53.87 36.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.247 -1.149 . . . . 0.0 108.166 179.036 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 60.4 m-70 -55.16 -22.98 19.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.242 -0.911 . . . . 0.0 109.259 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.54 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.0 t80 -63.09 -76.48 0.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.322 -0.861 . . . . 0.0 108.906 179.298 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -53.78 -36.05 61.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.61 -49.38 62.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.16 -0.963 . . . . 0.0 110.403 -178.833 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 12.7 p30 -74.98 -43.1 55.92 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.079 -1.013 . . . . 0.0 109.739 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.34 -41.67 91.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.339 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 1.088 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 21.1 mt-30 -87.18 -33.61 19.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.305 -0.872 . . . . 0.0 109.633 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 84.29 54.5 2.98 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.088 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 41.7 m0 -65.86 147.77 52.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -1.177 . . . . 0.0 109.799 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m -71.32 154.89 41.26 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 176.519 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -141.37 131.67 25.05 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.632 -1.293 . . . . 0.0 112.405 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.83 134.15 47.62 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.18 128.18 34.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.315 -0.866 . . . . 0.0 110.7 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 50' ' ' GLU . 67.2 tttt -99.03 147.97 24.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.419 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' VAL . 6.2 mm-40 -129.38 -40.22 1.45 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -178.581 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.29 -39.26 0.02 OUTLIER Glycine 0 N--CA 1.504 3.177 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' GLU . 60.3 t -93.83 140.57 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.373 -1.075 . . . . 0.0 108.868 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -172.94 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 108.381 179.561 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 87.12 -37.87 3.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.51 -27.16 0.47 Allowed Glycine 0 N--CA 1.491 2.35 0 O-C-N 121.092 -1.24 . . . . 0.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 54' ' ' GLY . 23.5 mtpp -70.22 -17.87 63.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.312 . . . . 0.0 109.357 -179.738 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.17 130.98 7.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.31 -0.869 . . . . 0.0 110.216 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.4 p -146.36 126.84 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.905 . . . . 0.0 109.685 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -93.35 166.94 12.05 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.122 -0.986 . . . . 0.0 109.316 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -121.93 149.81 42.89 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD1' ' CE2' ' A' ' 16' ' ' TRP . 2.9 t70 -78.99 120.81 24.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 111.105 -177.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 53.8 t -64.61 -29.86 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.552 -0.717 . . . . 0.0 109.097 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.3 mmt -74.66 -7.22 52.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.52 -0.737 . . . . 0.0 110.486 -178.823 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.6 p -98.11 -7.31 29.84 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.483 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.476 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 23.1 mmt -73.14 151.3 90.25 Favored Pre-proline 0 N--CA 1.487 1.407 0 O-C-N 121.71 -0.619 . . . . 0.0 109.709 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.33 145.65 0.87 Allowed 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.577 1.518 . . . . 0.0 111.133 178.41 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.9 m -47.53 -57.57 5.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.985 -1.072 . . . . 0.0 109.358 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' OE2' ' A' ' 71' ' ' GLU . 63.4 mmtt -51.26 -46.2 62.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.203 -0.936 . . . . 0.0 109.002 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.94 -32.15 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.501 -0.75 . . . . 0.0 110.44 -178.966 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -56.98 -64.13 0.98 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.763 -1.211 . . . . 0.0 110.061 -179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 72' ' ' GLN . 2.4 pp20? -58.52 -27.28 64.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 108.357 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 9.0 tp-100 -66.65 -53.91 28.93 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.878 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.65 -49.03 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.519 -0.738 . . . . 0.0 109.84 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.659 ' CG2' ' H ' ' A' ' 80' ' ' SER . 68.7 mt -52.26 -39.83 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.909 -1.119 . . . . 0.0 108.224 179.705 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.58 -40.18 76.87 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.713 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.15 -38.69 91.98 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -71.02 -36.34 72.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.34 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.36 35.89 11.52 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' HB2' HG23 ' A' ' 74' ' ' ILE . 16.5 mt -97.62 -84.23 0.38 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.963 . . . . 0.0 109.403 -179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.659 ' H ' ' CG2' ' A' ' 74' ' ' ILE . 9.1 p 48.6 -151.57 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.825 . . . . 0.0 109.504 -179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.31 -179.927 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.39 3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.555 0 O4'-C1'-N19 110.451 3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.572 " H2'" ' H71' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.79 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.572 ' H71' " H2'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.193 4.242 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.676 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.493 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.528 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.894 0 O4'-C1'-N19 110.491 3.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.598 1 O4'-C1'-N19 111.08 4.1 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.55 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.97 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.561 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.628 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.561 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.622 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.079 4.099 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.622 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.557 4.697 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.59 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.69 3.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.568 3.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.663 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 C3'-C2'-C1' 107.141 3.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.663 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.094 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.551 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.806 5.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.551 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.952 3.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.354 4.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.527 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.977 0 O4'-C1'-N19 110.836 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.527 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.517 1 O4'-C1'-N19 111.066 4.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.437 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.55 4.867 0 O4'-C1'-N19 110.923 3.903 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.572 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.558 3.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.572 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 111.069 4.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.558 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.087 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.496 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.017 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.445 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.732 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . 0.442 " O5'" H2'' ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 pttt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -160.95 175.94 11.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.099 -1.001 . . . . 0.0 110.215 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 16' ' ' TRP . 75.1 mt -140.39 163.34 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.06 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.613 ' CD1' ' NH2' ' A' ' 47' ' ' ARG . 13.1 m95 -148.39 156.92 43.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.765 -0.584 . . . . 0.0 109.543 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.5 m -150.98 157.14 42.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.176 -0.953 . . . . 0.0 111.104 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -80.17 156.21 74.27 Favored Pre-proline 0 C--N 1.304 -1.408 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.34 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.55 -38.22 83.47 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.973 1.782 . . . . 0.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.09 -35.65 71.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.065 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -75.09 -38.52 61.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.836 -1.165 . . . . 0.0 108.67 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.56 -57.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.767 -0.583 . . . . 0.0 110.343 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -50.44 -25.73 4.27 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.07 -12.34 60.01 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.62 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.7 165.8 24.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 109.483 -179.672 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.532 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -66.04 -82.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.271 -0.893 . . . . 0.0 111.599 -179.054 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.515 ' H ' ' HG2' ' A' ' 72' ' ' GLN . . . -49.98 -4.22 0.04 OUTLIER Glycine 0 N--CA 1.496 2.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.532 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.5 mmt -97.28 143.31 25.93 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.032 -1.275 . . . . 0.0 110.786 -179.088 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' MET . 71.6 Cg_exo -45.67 177.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 121.831 1.687 . . . . 0.0 112.017 178.447 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.95 30.65 5.42 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -146.78 140.84 26.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.313 -1.11 . . . . 0.0 109.173 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.2 t -55.88 -38.69 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.15 -0.969 . . . . 0.0 109.368 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.22 -43.03 71.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.781 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.16 -32.47 20.85 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -58.91 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.11 -1.229 . . . . 0.0 108.876 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -53.36 -27.11 21.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.493 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.406 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 31.6 t80 -57.61 -76.11 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.669 HH21 HE22 ' A' ' 42' ' ' GLN . 52.7 mtp180 -47.71 -47.99 29.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -0.907 . . . . 0.0 109.895 179.279 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.65 -32.05 49.96 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 111.153 -178.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.434 ' CG ' ' N ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -77.1 -48.6 17.33 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.772 -1.205 . . . . 0.0 109.328 -179.144 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' ASN . 2.7 p -76.94 -32.47 19.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.985 -178.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.669 HE22 HH21 ' A' ' 38' ' ' ARG . 53.6 mt-30 -85.14 -25.26 27.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.936 -1.103 . . . . 0.0 109.494 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.5 54.02 8.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -66.96 145.67 55.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -1.157 . . . . 0.0 110.053 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.3 m -72.68 146.69 46.34 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.089 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -140.31 133.3 29.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.769 -1.207 . . . . 0.0 112.403 -178.239 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.613 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 17.6 ttm180 -98.6 125.43 43.86 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.364 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -74.23 122.58 23.05 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.3 -0.875 . . . . 0.0 110.683 -178.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -71.15 170.01 13.87 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.309 -0.87 . . . . 0.0 108.782 178.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -132.28 -57.82 0.95 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.232 -0.917 . . . . 0.0 110.976 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.39 -8.26 24.23 Favored Glycine 0 N--CA 1.496 2.655 0 O-C-N 121.346 -0.846 . . . . 0.0 112.283 -177.652 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 53' ' ' LYS . 93.6 t -90.31 132.34 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.536 -1.567 . . . . 0.0 110.459 -179.268 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLY . 35.3 mttp -54.44 -167.49 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.295 -0.878 . . . . 0.0 109.868 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.37 -37.79 0.12 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.098 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 73.81 -33.11 0.88 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 54' ' ' GLY . 12.3 mttp -68.78 -13.38 62.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -1.092 . . . . 0.0 108.931 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.41 113.7 1.38 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 111.328 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' LYS . 30.2 m -133.46 136.32 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.662 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.8 169.42 10.16 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.851 -1.155 . . . . 0.0 108.893 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -122.32 146.87 46.91 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -78.1 112.24 14.84 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.24 -0.913 . . . . 0.0 111.049 -178.508 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.97 -27.79 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.57 -4.24 29.5 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.64 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.1 p -103.02 -18.66 14.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.25 -0.906 . . . . 0.0 109.298 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.48 159.21 85.68 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.029 . . . . 0.0 109.337 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -40.2 142.43 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.43 2.086 . . . . 0.0 112.024 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 m -47.81 -56.23 7.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.138 -0.976 . . . . 0.0 109.276 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -50.64 -45.22 57.67 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 108.91 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -64.3 -32.28 73.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.333 -0.854 . . . . 0.0 110.317 -179.109 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -54.81 -59.94 4.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.768 -1.207 . . . . 0.0 109.168 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.21 -29.17 69.66 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HG2' ' H ' ' A' ' 27' ' ' GLY . 41.9 tp60 -65.14 -55.44 18.68 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 108.844 179.193 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.07 -48.52 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.731 -0.606 . . . . 0.0 109.618 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.675 HG23 ' H ' ' A' ' 80' ' ' SER . 13.6 mt -55.25 -32.68 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.3 -42.45 54.66 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.74 -36.18 80.26 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.185 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -74.0 -38.9 63.96 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.168 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.66 34.49 10.15 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.403 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt -96.41 -85.54 0.34 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.316 -1.108 . . . . 0.0 109.073 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.675 ' H ' HG23 ' A' ' 74' ' ' ILE . 7.6 t 53.52 -166.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.333 -0.854 . . . . 0.0 109.816 179.533 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.535 -179.972 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.452 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.612 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.528 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.999 3.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.522 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.582 3.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.522 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.876 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.48 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.932 0 O4'-C1'-N19 110.699 3.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.422 ' C2 ' ' N2 ' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 111.323 4.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.472 ' H21' ' HZ3' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.964 5.205 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.303 4.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.541 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.462 ' C6 ' ' C6 ' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.824 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.457 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.481 4.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.527 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.316 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.527 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.458 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.793 0 O4'-C1'-N19 110.507 3.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.678 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.637 0 C3'-C2'-C1' 106.927 3.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.678 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.125 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.419 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-N19 111.805 5.006 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.528 4.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.164 4.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.591 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.317 4.396 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.591 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.741 1 O4'-C1'-N19 111.809 5.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.471 H2'' " O5'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.276 4.345 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . 0.471 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.209 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.624 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.876 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.624 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.877 1 O4'-C1'-N19 111.32 4.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.473 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.876 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.538 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.538 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.805 3.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.474 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.271 4.339 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 0 O4'-C1'-N19 110.758 3.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 tttp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -163.54 172.93 13.7 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.338 -0.851 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 16' ' ' TRP . 74.7 mt -143.23 161.3 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.899 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.538 ' N ' HG22 ' A' ' 15' ' ' ILE . 17.4 m95 -145.54 156.15 43.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 28.4 m -149.81 156.67 42.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.15 -0.969 . . . . 0.0 110.694 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 m -81.28 148.54 63.53 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.364 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.93 -47.06 4.95 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.921 1.747 . . . . 0.0 112.491 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.93 -33.48 67.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.785 -178.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.52 -39.25 62.49 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.781 -1.199 . . . . 0.0 108.827 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.64 -54.57 13.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.48 -0.762 . . . . 0.0 110.2 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -46.96 -27.67 1.36 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.237 -0.914 . . . . 0.0 109.404 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -9.28 59.79 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.733 -0.604 . . . . 0.0 110.23 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.45 147.71 28.58 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.784 -1.197 . . . . 0.0 109.73 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.14 153.57 33.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.282 -0.886 . . . . 0.0 108.986 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.83 52.1 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.422 ' HE1' ' OE1' ' A' ' 69' ' ' GLU . 21.4 mmt -91.73 148.38 37.07 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.071 -1.252 . . . . 0.0 110.419 -179.278 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.441 ' HD3' HH11 ' A' ' 38' ' ' ARG . 69.2 Cg_exo -37.76 -68.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 123.041 2.494 . . . . 0.0 113.17 179.462 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.5 17.73 2.59 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 5.8 p -146.38 142.11 27.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -1.044 . . . . 0.0 108.871 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.36 -52.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.991 -1.068 . . . . 0.0 109.059 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.62 88.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.166 -0.959 . . . . 0.0 108.844 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -50.74 -43.9 47.68 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 179.314 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.3 t -61.12 -49.84 83.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.041 -1.27 . . . . 0.0 108.078 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -56.66 -23.24 40.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 109.241 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 19.8 t80 -61.35 -77.24 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.342 -0.849 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 5.0 ptm180 -60.14 -30.46 69.31 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.748 -1.22 . . . . 0.0 110.656 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.76 43.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.745 -1.222 . . . . 0.0 111.627 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.533 ' OD1' ' O ' ' A' ' 37' ' ' TYR . 44.1 p-10 -73.58 -30.45 63.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.912 -1.117 . . . . 0.0 110.201 -178.709 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 73.2 t -76.07 -34.19 26.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.457 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.95 -35.22 19.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.214 -0.929 . . . . 0.0 109.797 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.78 51.22 1.69 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -66.57 141.61 57.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.443 -1.034 . . . . 0.0 109.485 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.2 m -74.22 115.13 13.37 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -105.22 136.94 43.81 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.274 1.035 . . . . 0.0 112.53 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -104.0 136.53 43.47 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -70.61 132.03 44.85 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.112 -0.993 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -108.44 145.05 35.22 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.244 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' VAL . 18.3 mt-10 -130.27 -41.59 1.24 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.294 -0.878 . . . . 0.0 110.396 -178.537 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.74 -35.34 0.02 OUTLIER Glycine 0 N--CA 1.503 3.13 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' GLU . 10.9 t -91.3 143.59 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.317 -1.107 . . . . 0.0 108.993 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 52' ' ' VAL . 34.3 mttp -52.19 -171.64 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.83 0.824 . . . . 0.0 110.643 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.34 -45.3 0.61 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.37 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.88 -22.81 2.75 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.523 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.0 mtpp -69.21 -11.22 60.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.353 -1.086 . . . . 0.0 108.851 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 137.86 58.19 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.657 0.742 . . . . 0.0 110.642 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -144.74 138.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -94.38 168.85 10.62 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.991 -1.068 . . . . 0.0 109.319 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -122.16 145.3 48.32 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -77.92 113.48 15.86 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.93 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 47.6 t -60.67 -22.31 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.452 -0.78 . . . . 0.0 109.14 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mmt -77.18 -2.2 33.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.423 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.35 -17.02 14.58 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.33 -0.856 . . . . 0.0 108.903 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 mtm -72.33 148.23 90.8 Favored Pre-proline 0 N--CA 1.487 1.376 0 O-C-N 121.067 -1.021 . . . . 0.0 109.445 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -36.5 138.8 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.279 0 C-N-CA 122.609 2.206 . . . . 0.0 112.121 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -42.38 -56.88 2.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.433 -0.792 . . . . 0.0 109.987 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -52.97 -48.14 67.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.274 -0.892 . . . . 0.0 109.193 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 47.4 mt-10 -58.56 -39.93 81.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.815 -179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -53.07 -43.38 66.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 108.871 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -60.41 -41.84 94.74 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.779 -0.576 . . . . 0.0 109.68 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -64.33 -44.75 90.53 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.89 -179.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.7 t -70.41 -51.47 37.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.469 HG23 ' H ' ' A' ' 80' ' ' SER . 30.7 mt -54.82 -41.53 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 0.0 108.892 179.574 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.16 -41.12 62.01 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.808 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -61.25 -37.31 82.65 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.355 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.07 -46.07 53.74 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.643 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.39 30.93 5.73 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 179.338 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 80' ' ' SER . 6.4 mp -92.03 -92.14 0.16 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.857 -1.378 . . . . 0.0 108.111 179.061 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER 165.21 166.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.702 0.763 . . . . 0.0 109.766 179.766 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 117.976 -1.012 . . . . 0.0 109.627 179.877 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.557 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.557 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.066 4.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.495 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.94 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.659 " H2'" ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.659 ' H72' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.441 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.569 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.581 1 O4'-C1'-N19 111.117 4.147 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.569 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.554 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.5 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 1 O4'-C1'-N19 111.134 4.167 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.512 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.225 4.281 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.512 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.846 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.62 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 111.329 4.411 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.62 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.863 5.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.516 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.405 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.541 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.682 3.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.659 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 C3'-C2'-C1' 106.883 2.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.659 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.733 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.512 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.97 5.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.512 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.326 1 O4'-C1'-N19 111.345 4.431 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.594 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.963 3.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.594 " O5'" H2'' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.415 4.518 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.489 H2'' " O5'" ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.786 1 O4'-C1'-N19 111.243 4.304 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.489 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.15 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.256 4.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.598 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.644 3.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.598 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.988 0 O4'-C1'-N19 110.975 3.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.512 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.517 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.709 0 C3'-C2'-C1' 107.163 3.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.517 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.501 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.502 4.627 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.902 3.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -160.28 172.89 16.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.251 -0.905 . . . . 0.0 109.559 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 16' ' ' TRP . 65.3 mt -142.48 161.99 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.427 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.532 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.9 m95 -146.75 153.47 40.26 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.272 0.558 . . . . 0.0 109.498 -179.242 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 11.6 m -149.34 154.82 39.55 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.278 -0.889 . . . . 0.0 111.018 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 m -83.41 147.86 54.07 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -40.6 -42.21 3.96 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.113 1.875 . . . . 0.0 112.822 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -56.0 -35.71 67.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.366 -0.834 . . . . 0.0 110.271 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -77.98 -38.16 45.73 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.018 -1.051 . . . . 0.0 108.843 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.6 mt -75.38 -54.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.662 -0.649 . . . . 0.0 110.023 -179.81 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -52.62 -27.88 18.95 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.246 -0.909 . . . . 0.0 108.947 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.73 59.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.647 -0.658 . . . . 0.0 109.403 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.01 149.1 29.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.085 -1.01 . . . . 0.0 109.895 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.95 152.48 43.15 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.11 -0.994 . . . . 0.0 109.329 179.635 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.46 -27.17 3.75 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' PRO . 24.6 mmt -93.86 139.25 22.62 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.609 -0.936 . . . . 0.0 109.589 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.435 ' O ' ' O ' ' A' ' 28' ' ' MET . 85.8 Cg_exo -42.78 172.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.839 1.692 . . . . 0.0 112.109 178.897 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.7 35.89 3.9 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -147.24 142.37 27.15 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.406 -1.055 . . . . 0.0 109.128 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.05 -50.34 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.07 -1.019 . . . . 0.0 109.237 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.66 86.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.95 -1.093 . . . . 0.0 108.955 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -36.89 28.65 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.071 -1.611 . . . . 0.0 109.071 179.368 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -66.15 -56.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.122 -1.222 . . . . 0.0 108.528 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.533 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 78.6 m-70 -49.42 -28.29 5.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.165 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.526 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.2 t80 -59.61 -75.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.577 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -53.95 -31.73 51.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.38 -0.825 . . . . 0.0 109.795 179.354 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.9 -52.94 63.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 110.899 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 9.9 p30 -73.6 -42.58 61.34 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.165 -0.959 . . . . 0.0 109.882 -179.15 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.24 -42.67 80.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.605 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -88.77 -37.98 15.04 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.254 -0.904 . . . . 0.0 110.079 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.29 52.69 1.56 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.6 m0 -65.88 144.86 56.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -1.082 . . . . 0.0 110.063 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.2 m -73.34 147.01 44.81 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 177.021 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -139.1 130.53 27.06 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 122.546 1.165 . . . . 0.0 111.313 -178.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -101.07 118.81 37.74 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -70.88 116.89 11.71 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.397 -178.18 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 57' ' ' ALA . 20.2 tttt -94.48 149.5 21.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 52' ' ' VAL . 41.9 mt-10 -126.02 -41.01 1.97 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.252 -0.905 . . . . 0.0 110.166 -178.761 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.34 -35.94 0.01 OUTLIER Glycine 0 N--CA 1.502 3.07 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -178.81 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLU . 16.8 t -89.12 146.69 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.123 -1.222 . . . . 0.0 108.981 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' A' ' 55' ' ' GLY . 17.7 mttp -54.43 -171.43 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.824 0.821 . . . . 0.0 110.162 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.53 -32.84 0.46 Allowed Glycine 0 N--CA 1.482 1.736 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.908 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 70.15 -36.17 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 -179.573 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.1 mttt -61.5 -1.13 0.49 Allowed 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.247 -1.149 . . . . 0.0 108.884 179.648 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -61.38 110.69 1.51 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 110.874 -178.917 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 58' ' ' VAL . 10.8 m -140.04 126.76 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.318 -0.864 . . . . 0.0 108.818 178.472 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 26.3 mp0 -97.63 168.3 10.43 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.257 -0.902 . . . . 0.0 110.499 -179.163 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -112.96 148.5 34.9 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.638 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -78.28 120.96 23.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 111.068 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.21 -25.29 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 121.706 0.765 . . . . 0.0 109.109 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.3 mmt -74.8 -4.85 40.14 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.742 -0.599 . . . . 0.0 110.231 -178.576 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.44 -7.87 20.61 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.07 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.503 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 20.0 mmt -73.21 150.83 89.96 Favored Pre-proline 0 C--N 1.304 -1.406 0 O-C-N 121.462 -0.773 . . . . 0.0 110.073 -179.217 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.31 144.69 1.08 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 121.543 1.495 . . . . 0.0 110.885 177.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.443 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 61.4 m -47.4 -58.81 3.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.83 -1.169 . . . . 0.0 109.772 -179.64 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -50.18 -44.13 52.7 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 0.0 109.208 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.87 -36.07 82.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 0.0 110.285 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' HE ' ' HA ' ' A' ' 67' ' ' THR . 16.2 mtm180 -54.47 -57.54 10.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.925 -1.11 . . . . 0.0 109.865 -179.12 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.79 -38.07 86.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.73 -49.31 73.54 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.208 -0.997 . . . . 0.0 108.769 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.68 -51.67 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.499 -0.75 . . . . 0.0 109.04 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 80' ' ' SER . 32.8 mt -53.89 -31.24 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.49 -43.31 23.42 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.9 -38.24 87.64 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.139 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.65 -36.61 73.49 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.75 26.77 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.16 -81.83 0.31 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.437 -1.037 . . . . 0.0 109.503 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 15.3 m -154.61 -150.72 0.33 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.271 -0.893 . . . . 0.0 110.274 -179.756 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.542 -179.592 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . 0.677 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.369 3.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.54 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.91 1 O4'-C1'-N19 111.074 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.54 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.683 0 O4'-C1'-N19 110.639 3.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.626 " H2'" ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.626 ' H72' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.614 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.065 4.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.614 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 110.54 3.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.528 ' C2 ' ' N2 ' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.561 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.95 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.651 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.707 4.884 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.651 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.909 3.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 113' ' ' ' DA' . . . . . 0.513 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.793 1 O4'-C1'-N19 111.929 5.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 114' ' ' ' DT' . . . . . 0.523 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.166 1 O4'-C1'-N19 111.654 4.818 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 115' ' ' ' DC' . . . . . 0.523 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.288 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.581 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.484 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 117' ' ' ' DG' . . . . . 0.581 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.122 0 O4'-C1'-N19 110.911 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.646 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 C3'-C2'-C1' 106.954 3.038 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.646 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.251 4.314 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.456 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.869 1 O4'-C1'-N19 111.794 4.992 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.456 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.164 1 O4'-C1'-N19 111.64 4.8 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 124' ' ' ' DT' . . . . . 0.499 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.116 1 O4'-C1'-N19 111.151 4.189 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.562 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.057 1 O4'-C1'-N19 111.623 4.778 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.562 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.626 4.782 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 127' ' ' ' DC' . . . . . 0.441 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.333 1 O4'-C1'-N19 111.265 4.331 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.024 4.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 129' ' ' ' DG' . . . . . 0.721 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.943 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.721 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.46 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.127 0 O4'-C1'-N19 110.526 3.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 132' ' ' ' DA' . . . . . 0.577 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.5 0 O4'-C1'-N19 110.686 3.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 133' ' ' ' DA' . . . . . 0.577 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.342 4.427 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 134' ' ' ' DG' . . . . . 0.469 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.774 1 O4'-C1'-N19 111.126 4.157 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.392 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 tttp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.485 0.66 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 t -160.69 173.53 15.31 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 109.265 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.3 mt -142.18 162.47 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.3 m95 -147.49 154.06 40.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.759 -0.588 . . . . 0.0 109.657 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 37.2 m -151.45 158.3 43.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.745 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -81.35 144.36 53.52 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -39.71 -44.6 3.41 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.089 1.859 . . . . 0.0 112.738 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.41 -31.41 63.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.329 -0.857 . . . . 0.0 110.292 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.3 -40.49 51.42 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 108.825 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.32 -54.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.564 -0.71 . . . . 0.0 110.263 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -50.5 -27.33 6.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 0.0 109.2 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.34 -8.11 59.69 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 109.929 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.56 152.22 27.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.813 -1.18 . . . . 0.0 110.042 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.03 158.51 25.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.963 -1.086 . . . . 0.0 108.844 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . . . 78.54 -17.47 6.59 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.7 mmt -89.49 150.27 44.13 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 120.969 -1.312 . . . . 0.0 109.835 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -36.81 -65.67 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.885 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.17 18.01 4.33 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -145.88 145.56 30.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -1.029 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -54.48 -48.03 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.125 -0.984 . . . . 0.0 109.202 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.77 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.156 -0.965 . . . . 0.0 109.171 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.27 -43.03 42.55 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.36 -51.45 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.023 -1.281 . . . . 0.0 108.517 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 45.3 m-70 -53.14 -28.71 27.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.288 -0.883 . . . . 0.0 109.2 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.51 -73.7 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.043 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 43.8 mtp180 -54.74 -36.51 64.87 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.506 -0.746 . . . . 0.0 109.899 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.72 -57.59 7.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.381 -0.824 . . . . 0.0 111.398 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.48 -36.4 65.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.923 -1.11 . . . . 0.0 109.559 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.1 t -70.43 -42.0 78.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.218 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.487 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 75.7 mt-30 -85.41 -23.3 27.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.138 -0.976 . . . . 0.0 109.972 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 49.63 5.12 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -66.61 143.34 57.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.273 -1.133 . . . . 0.0 109.78 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 m -73.86 154.51 39.43 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -143.55 133.58 24.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.74 -1.225 . . . . 0.0 112.613 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 3.4 tpp180 -98.39 112.09 24.22 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.09 118.69 14.2 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.86 165.28 24.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.5 mt-10 -131.28 -54.72 1.03 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.325 -0.86 . . . . 0.0 110.011 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.27 -16.44 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 O-C-N 121.503 -0.748 . . . . 0.0 111.246 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 45.6 t -88.07 137.26 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.701 -1.47 . . . . 0.0 110.268 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' A' ' 55' ' ' GLY . 37.3 mttp -50.12 169.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.988 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.59 -30.39 0.17 Allowed Glycine 0 N--CA 1.489 2.216 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.316 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 65.11 -10.02 0.42 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.57 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.1 mtpp -73.42 -18.15 61.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 108.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.22 124.17 19.81 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.527 -0.733 . . . . 0.0 110.589 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 56' ' ' LYS . 13.2 m -139.5 138.86 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -92.76 166.13 12.6 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.137 -0.977 . . . . 0.0 108.805 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -118.18 150.59 39.14 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.4 106.85 9.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 110.442 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.18 -26.28 38.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.6 mmm -74.51 -2.54 26.19 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.765 . . . . 0.0 108.978 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.0 p -108.16 -12.51 15.09 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.469 -0.769 . . . . 0.0 109.3 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -72.83 153.84 91.15 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.936 -1.102 . . . . 0.0 109.31 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' THR . 65.6 Cg_exo -39.26 136.97 0.86 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.198 1.932 . . . . 0.0 111.613 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PRO . 74.6 m -43.85 -54.35 5.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.488 -0.758 . . . . 0.0 109.724 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -53.22 -49.82 65.99 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.003 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 27' ' ' GLY . 39.5 mm-40 -57.97 -42.35 84.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.458 -0.776 . . . . 0.0 110.148 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -50.54 -45.63 56.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.047 -1.033 . . . . 0.0 109.605 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -60.91 -38.68 86.57 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.411 -0.806 . . . . 0.0 109.293 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -63.98 -44.83 91.52 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.241 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.7 t -71.35 -54.44 17.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' GLY . 1.6 mp -54.5 -38.47 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.92 -1.112 . . . . 0.0 108.374 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.87 60.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.102 -0.998 . . . . 0.0 108.692 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -63.01 -38.45 91.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.17 -37.58 66.5 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.73 38.82 8.5 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.495 1.819 0 O-C-N 121.515 -0.991 . . . . 0.0 109.775 -179.528 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.228 0.537 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.8 t -160.15 173.36 15.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.249 -0.907 . . . . 0.0 109.54 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 16' ' ' TRP . 74.9 mt -141.13 160.91 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.515 ' N ' HG22 ' A' ' 15' ' ' ILE . 13.5 m95 -146.62 157.55 43.74 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.6 m -148.88 156.6 42.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.143 -0.973 . . . . 0.0 110.869 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 161.63 71.2 Favored Pre-proline 0 C--N 1.301 -1.524 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.6 -46.08 32.46 Favored 'Trans proline' 0 C--N 1.299 -2.067 0 C-N-CA 122.014 1.809 . . . . 0.0 111.534 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.31 -26.2 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 110.784 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.98 -40.13 47.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.759 -1.213 . . . . 0.0 109.47 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.9 mt -73.92 -50.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.512 -0.742 . . . . 0.0 110.332 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -27.28 28.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 0.0 108.761 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.96 57.79 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.96 149.21 30.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.896 -1.127 . . . . 0.0 109.39 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.8 m-20 -65.04 156.14 32.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.764 -1.21 . . . . 0.0 108.69 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.86 -23.7 2.52 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 29' ' ' PRO . 13.8 mmt -94.03 143.76 26.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.263 -1.14 . . . . 0.0 109.835 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.5 Cg_exo -41.87 169.72 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 121.969 1.779 . . . . 0.0 112.24 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.2 28.83 6.42 Favored Glycine 0 N--CA 1.499 2.849 0 N-CA-C 108.606 -1.797 . . . . 0.0 108.606 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -145.23 133.7 21.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.525 -0.985 . . . . 0.0 108.785 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 32' ' ' VAL . 7.6 t -49.77 -46.61 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.036 -1.04 . . . . 0.0 109.197 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.93 77.28 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.977 -1.077 . . . . 0.0 108.688 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -31.55 71.13 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.76 -51.62 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.39 -1.065 . . . . 0.0 108.906 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.525 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 91.7 m-70 -63.93 -19.99 65.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.264 -0.897 . . . . 0.0 109.54 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -62.05 -74.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.287 -0.883 . . . . 0.0 109.062 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.47 -38.26 68.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 0.0 109.945 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -52.59 -47.43 66.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.137 -0.977 . . . . 0.0 110.545 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 14.6 p30 -74.03 -46.58 42.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.174 -0.953 . . . . 0.0 109.544 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.1 t -64.47 -42.46 95.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.683 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 15.9 mt-30 -87.73 -28.21 21.89 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.299 -0.876 . . . . 0.0 110.0 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 79.3 60.35 2.54 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.322 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.503 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 45.3 m0 -68.4 139.99 55.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.18 -1.188 . . . . 0.0 109.352 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.403 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 1.3 m -71.12 114.51 9.25 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -102.18 137.19 40.77 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 122.506 1.146 . . . . 0.0 113.98 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 6.0 ttm-85 -96.11 140.61 30.58 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 175.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -77.69 117.8 19.45 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.108 -0.995 . . . . 0.0 110.237 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' CB ' ' HZ2' ' A' ' 49' ' ' LYS . 5.3 ttpm? -96.97 145.9 25.48 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' VAL . 26.6 mt-10 -130.95 -42.87 1.09 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.24 -0.913 . . . . 0.0 110.768 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -33.78 -29.0 0.01 OUTLIER Glycine 0 N--CA 1.501 2.993 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 50' ' ' GLU . 72.5 t -89.81 124.07 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.167 -1.196 . . . . 0.0 109.598 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.01 121.97 12.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.115 -0.991 . . . . 0.0 108.569 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 153.98 -29.12 0.73 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.38 -34.62 0.55 Allowed Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.245 -1.15 . . . . 0.0 110.279 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.3 mtpp -73.49 -3.95 30.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.255 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.93 123.92 20.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 111.436 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.7 m -145.51 133.3 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -93.37 176.75 6.27 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.125 -0.984 . . . . 0.0 109.101 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -130.88 143.64 50.88 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.217 -0.927 . . . . 0.0 109.942 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 33.6 t0 -78.53 114.45 17.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.62 -0.675 . . . . 0.0 111.173 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 -24.83 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.431 -0.793 . . . . 0.0 109.079 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.25 -0.76 8.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 108.77 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 p -107.35 -9.41 16.04 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.648 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.84 152.37 96.05 Favored Pre-proline 0 C--N 1.307 -1.249 0 O-C-N 121.397 -0.815 . . . . 0.0 109.882 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -42.17 145.36 0.87 Allowed 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.747 1.631 . . . . 0.0 111.289 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -46.59 -59.85 2.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.172 -0.955 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -51.63 -44.89 63.08 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.328 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.77 -38.14 84.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.314 -0.866 . . . . 0.0 109.961 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -51.21 -63.01 1.27 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.912 -1.117 . . . . 0.0 109.406 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.58 -53.36 43.03 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -70.93 -51.56 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.32 -28.61 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.027 -1.046 . . . . 0.0 108.188 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.89 -39.04 24.44 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 119.473 -0.891 . . . . 0.0 108.84 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.89 -43.44 65.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 79' ' ' LEU . . . 105.96 23.29 7.49 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.593 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.5 2.05 0 O-C-N 121.125 -1.221 . . . . 0.0 108.284 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 pttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -160.52 179.93 8.19 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 109.66 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 16' ' ' TRP . 82.3 mt -140.68 162.38 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.561 ' N ' HG22 ' A' ' 15' ' ' ILE . 17.4 m95 -145.65 153.55 41.15 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.327 0.584 . . . . 0.0 109.492 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.5 m -146.76 154.92 41.96 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.401 -0.812 . . . . 0.0 110.316 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 m -80.87 149.43 67.13 Favored Pre-proline 0 N--CA 1.49 1.554 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -41.3 -44.89 5.73 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.853 1.702 . . . . 0.0 112.126 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.69 -33.94 68.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.536 -0.728 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -37.63 56.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.794 -1.191 . . . . 0.0 108.557 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ALA . 93.7 mt -75.78 -57.11 6.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.479 -0.763 . . . . 0.0 110.033 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.0 ptm -49.22 -26.73 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.105 . . . . 0.0 108.736 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.17 -14.13 56.11 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.041 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -81.61 148.26 29.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.884 -1.135 . . . . 0.0 109.072 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.35 158.55 20.2 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.001 -1.062 . . . . 0.0 109.321 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 -15.94 14.58 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.3 mmt -92.43 149.92 39.11 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.131 -1.217 . . . . 0.0 110.403 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -36.99 -63.13 0.23 Allowed 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.706 2.271 . . . . 0.0 112.744 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.38 6.0 Favored Glycine 0 N--CA 1.499 2.88 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -145.72 142.64 29.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.334 -1.098 . . . . 0.0 109.074 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.18 -48.89 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.045 -1.034 . . . . 0.0 108.706 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.36 75.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.059 -1.026 . . . . 0.0 108.589 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.87 -38.68 46.49 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.553 -1.819 . . . . 0.0 108.553 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.05 -55.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.318 -1.107 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.485 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 76.5 m-70 -53.31 -29.77 35.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.459 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.3 t80 -59.1 -76.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.434 -0.791 . . . . 0.0 108.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -53.63 -33.31 54.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 110.054 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -51.56 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 111.026 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.3 p30 -73.23 -41.81 63.32 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 109.995 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.67 -41.33 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.516 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -87.98 -39.11 14.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.439 -0.788 . . . . 0.0 109.836 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 52.99 1.53 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -66.46 147.16 53.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -1.13 . . . . 0.0 110.32 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -75.08 139.86 43.08 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -132.72 134.15 44.41 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 122.782 1.277 . . . . 0.0 111.556 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.03 118.82 35.48 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 10.4 ttpp -72.13 103.94 3.46 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 9.8 mtpp -78.81 155.66 29.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.069 -1.02 . . . . 0.0 109.075 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.3 mm-40 -131.15 -58.85 1.0 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.16 -16.82 0.04 OUTLIER Glycine 0 N--CA 1.495 2.617 0 O-C-N 121.515 -0.741 . . . . 0.0 111.269 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 5.6 t -87.67 141.39 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.794 -1.415 . . . . 0.0 109.94 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.45 169.9 0.12 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.638 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 84.8 -29.45 4.14 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 67.82 -44.22 0.29 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' GLY . 10.5 mttp -64.38 3.01 0.51 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.432 -1.04 . . . . 0.0 109.036 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -47.28 111.34 0.4 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 111.088 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 56' ' ' LYS . 50.4 t -135.6 110.45 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 1.4 mp0 -94.34 170.42 9.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.976 -1.077 . . . . 0.0 109.738 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.81 147.83 45.45 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 109.49 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.5 112.12 16.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.421 -0.8 . . . . 0.0 110.681 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.76 -27.75 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.377 -0.827 . . . . 0.0 108.907 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.2 mmm -73.64 -4.16 32.57 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.418 -0.801 . . . . 0.0 109.793 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 p -102.72 -11.57 18.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.954 . . . . 0.0 109.159 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtm -75.44 154.22 85.83 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.914 -1.116 . . . . 0.0 109.45 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' THR . 91.0 Cg_exo -41.0 138.38 1.66 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.816 1.677 . . . . 0.0 110.835 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' PRO . 4.4 m -41.29 -59.95 1.4 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.338 -0.851 . . . . 0.0 110.282 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.28 -52.52 35.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.101 -0.999 . . . . 0.0 108.636 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.59 -48.51 81.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.437 -0.789 . . . . 0.0 109.058 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -53.3 56.46 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.46 -33.64 76.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.858 -1.152 . . . . 0.0 108.713 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.37 -45.45 87.68 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.08 -53.39 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.446 -0.784 . . . . 0.0 108.908 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' GLY . 96.6 mt -53.13 -37.66 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.99 67.13 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -62.33 -37.76 86.87 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 79' ' ' LEU . 79.3 mt -72.82 -36.52 67.55 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 80.49 37.53 20.24 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 77' ' ' LEU . 3.8 mp . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.653 -0.91 . . . . 0.0 108.722 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.313 0.577 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.3 t -160.31 175.43 12.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.3 -0.875 . . . . 0.0 109.65 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.545 HG22 ' N ' ' A' ' 16' ' ' TRP . 70.7 mt -139.53 164.5 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.545 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.7 m95 -148.91 154.79 39.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.667 -0.646 . . . . 0.0 109.432 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -148.89 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.39 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.3 m -79.38 148.26 70.05 Favored Pre-proline 0 C--N 1.302 -1.469 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -40.8 -50.45 3.99 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.847 1.698 . . . . 0.0 112.423 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -57.52 -27.23 62.4 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.468 -0.77 . . . . 0.0 111.528 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.35 -41.2 41.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.669 -1.269 . . . . 0.0 109.764 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.4 mt -73.86 -50.98 26.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.14 29.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 0.0 108.759 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -15.16 57.57 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.818 -0.551 . . . . 0.0 109.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 148.23 32.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.83 -1.169 . . . . 0.0 109.802 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.29 151.73 42.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.046 -1.033 . . . . 0.0 108.871 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.53 -24.78 4.12 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' PRO . 13.3 mmt -94.46 145.2 29.25 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.345 -1.091 . . . . 0.0 109.678 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' MET . 80.5 Cg_exo -43.3 174.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.108 1.872 . . . . 0.0 112.556 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.24 34.71 3.58 Favored Glycine 0 N--CA 1.499 2.868 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.4 t -146.7 144.54 29.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -1.041 . . . . 0.0 109.474 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.8 t -56.3 -51.2 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.046 -1.034 . . . . 0.0 108.367 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.22 -29.38 69.62 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.65 64.15 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.76 -47.19 89.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -61.09 -25.82 67.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.502 -0.749 . . . . 0.0 109.253 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.529 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 32.3 t80 -61.98 -76.23 0.06 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.636 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 29.7 mtp180 -50.61 -43.26 56.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.332 -0.855 . . . . 0.0 109.792 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.93 -31.31 62.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 111.074 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 1.9 p30 -76.81 -49.22 16.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.949 -1.094 . . . . 0.0 109.374 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.538 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.5 p -77.04 -32.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.025 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.636 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 51.4 mt-30 -85.6 -26.1 26.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.002 -1.061 . . . . 0.0 109.163 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.9 54.95 6.12 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -66.59 143.02 57.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.099 -1.236 . . . . 0.0 109.5 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -71.59 152.16 43.16 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -141.98 132.72 25.61 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.715 1.245 . . . . 0.0 112.748 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.92 136.04 38.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -72.34 125.19 26.76 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 121.273 -0.892 . . . . 0.0 110.924 -178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -97.62 141.73 30.3 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.5 mt-10 -130.13 -47.53 1.11 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.186 -0.946 . . . . 0.0 110.398 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -36.88 -27.29 0.01 OUTLIER Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 22.7 t -89.89 144.96 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.139 -1.212 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 55' ' ' GLY . 50.1 mttt -49.77 -179.5 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.342 -0.849 . . . . 0.0 109.734 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.33 -36.87 0.12 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.56 -34.36 0.27 Allowed Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.956 -1.32 . . . . 0.0 109.94 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.4 mtpp -56.22 -8.23 0.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.017 -1.284 . . . . 0.0 108.365 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.84 135.68 57.85 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.54 0.686 . . . . 0.0 110.595 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 58' ' ' VAL . 29.4 m -143.33 133.94 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -89.63 167.76 12.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.074 -1.016 . . . . 0.0 108.606 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -122.04 148.37 44.92 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -81.69 114.97 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.0 111.38 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.8 -26.11 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmm -70.6 0.36 7.02 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.302 -0.874 . . . . 0.0 108.681 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.4 p -105.35 -12.6 15.97 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.64 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.7 152.93 96.44 Favored Pre-proline 0 N--CA 1.484 1.257 0 O-C-N 121.259 -0.901 . . . . 0.0 109.614 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 74.6 Cg_exo -40.89 136.31 2.07 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.693 1.595 . . . . 0.0 110.908 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 60.4 m -42.42 -56.89 2.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.187 -0.946 . . . . 0.0 110.107 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -52.34 -46.08 65.93 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 108.986 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -62.48 -34.39 76.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.352 -0.843 . . . . 0.0 110.834 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -53.03 -55.44 23.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.906 -1.121 . . . . 0.0 109.508 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.12 -34.56 75.17 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.14 -50.49 65.81 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.649 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.52 -51.29 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.671 -0.643 . . . . 0.0 109.339 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' GLY . 61.4 mt -53.82 -31.14 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 108.25 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.37 -39.38 39.43 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.865 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -62.52 -39.47 93.65 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -72.74 -37.28 67.77 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 78.34 40.09 20.61 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.495 1.805 0 O-C-N 121.55 -0.971 . . . . 0.0 109.155 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -160.21 173.08 16.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.517 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 16' ' ' TRP . 75.7 mt -142.32 162.32 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.536 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.4 m95 -145.92 152.74 39.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.403 0.62 . . . . 0.0 109.67 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.9 m -148.8 153.62 38.38 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.302 -0.874 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.46 160.15 70.7 Favored Pre-proline 0 C--N 1.303 -1.431 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.32 -31.24 84.05 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.019 1.813 . . . . 0.0 110.761 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.21 -38.56 89.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.646 -0.659 . . . . 0.0 110.05 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 mp0 -76.38 -37.44 57.17 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.037 -1.039 . . . . 0.0 109.035 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' ALA . 66.5 mt -74.0 -55.65 11.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 110.048 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -27.83 7.12 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 108.542 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -16.86 52.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.7 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.2 153.0 30.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.015 -1.053 . . . . 0.0 109.194 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 28' ' ' MET . 73.3 m-20 -66.04 158.03 29.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.854 -1.154 . . . . 0.0 109.446 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.9 -24.67 2.32 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.471 ' H ' ' C ' ' A' ' 26' ' ' ASP . 22.9 mmt -95.03 134.17 25.15 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.634 -0.921 . . . . 0.0 109.996 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.1 Cg_exo -44.13 176.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.655 1.57 . . . . 0.0 112.095 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.17 36.78 3.49 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 108.701 -1.76 . . . . 0.0 108.701 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -143.61 131.5 21.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.517 -0.99 . . . . 0.0 108.939 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 32' ' ' VAL . 14.5 t -51.61 -37.64 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.959 . . . . 0.0 109.245 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.09 64.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.174 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.89 -39.95 41.19 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.936 -1.665 . . . . 0.0 108.936 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.57 -55.87 19.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.314 -1.109 . . . . 0.0 108.566 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.5 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 91.2 m-70 -52.57 -26.76 14.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.438 -0.789 . . . . 0.0 109.529 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.527 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.2 t80 -60.08 -76.53 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -57.22 -30.4 64.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.143 -0.973 . . . . 0.0 110.233 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.92 71.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.998 -1.063 . . . . 0.0 110.577 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.0 p30 -73.74 -40.75 63.29 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.212 -0.93 . . . . 0.0 109.797 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.95 -36.52 77.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.368 -0.832 . . . . 0.0 109.704 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.25 -39.67 17.49 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.301 -0.874 . . . . 0.0 109.691 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.73 50.75 1.62 Allowed Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.234 -1.547 . . . . 0.0 109.234 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -67.97 142.69 55.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -1.075 . . . . 0.0 109.993 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 m -72.48 148.73 44.81 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD2' ' H ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -141.96 136.31 30.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.72 -1.237 . . . . 0.0 112.941 -178.092 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 9.1 tpp180 -90.14 105.99 18.18 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -68.74 113.73 6.46 Favored 'General case' 0 C--N 1.291 -1.967 0 O-C-N 121.358 -0.839 . . . . 0.0 109.943 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' CD ' ' OE1' ' A' ' 59' ' ' GLU . 18.7 mtpp -87.66 150.77 23.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.255 -0.903 . . . . 0.0 109.293 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.6 mt-10 -131.33 -54.05 1.03 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 110.319 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.42 -8.5 0.04 OUTLIER Glycine 0 N--CA 1.495 2.624 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.6 t -88.1 149.97 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.931 -1.334 . . . . 0.0 109.99 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -52.78 142.08 19.77 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 56.79 69.23 1.34 Allowed Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.641 -2.184 . . . . 0.0 107.641 -178.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . -42.76 -10.53 0.01 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 54' ' ' GLY . 18.3 mttp -52.91 -10.64 0.18 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.71 -1.465 . . . . 0.0 108.238 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.29 131.19 50.01 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.689 0.757 . . . . 0.0 111.12 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 58' ' ' VAL . 6.4 m -143.05 128.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -92.22 164.98 13.35 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.347 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.78 146.67 41.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.53 -0.731 . . . . 0.0 109.625 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.44 112.75 15.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.57 -0.706 . . . . 0.0 110.509 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -25.81 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.361 -0.837 . . . . 0.0 108.749 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.9 mmt -72.58 -4.64 31.97 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.353 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.5 p -104.37 -13.71 16.01 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -71.75 156.59 90.98 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.49 142.61 0.64 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.201 1.934 . . . . 0.0 111.842 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 m -45.73 -59.79 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.146 -0.972 . . . . 0.0 109.928 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -50.43 -44.7 55.39 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.226 -0.921 . . . . 0.0 109.227 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.55 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.385 -0.822 . . . . 0.0 110.236 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -54.26 -61.14 2.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.869 -1.144 . . . . 0.0 109.777 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.84 -31.42 70.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 108.867 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -65.15 -52.13 57.02 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.167 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.69 -49.9 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' A' ' 79' ' ' LEU . 73.2 mt -53.61 -37.06 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.62 66.49 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -65.07 -35.56 81.53 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.24 -40.74 74.29 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 79' ' ' LEU . . . 104.02 23.89 7.92 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.498 1.927 0 O-C-N 121.109 -1.23 . . . . 0.0 108.709 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 pttt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.521 ' C ' HD12 ' A' ' 15' ' ' ILE . 28.3 t -159.16 174.74 14.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.982 -1.074 . . . . 0.0 109.67 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.0 mp -143.3 160.59 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.823 0.82 . . . . 0.0 109.297 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.576 ' N ' HG22 ' A' ' 15' ' ' ILE . 16.8 m95 -142.72 155.55 44.89 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.0 m -150.89 158.03 43.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.183 -0.948 . . . . 0.0 110.987 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 146.71 56.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -40.78 -39.35 3.09 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.046 1.831 . . . . 0.0 113.132 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -56.32 -37.76 70.37 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.293 -0.88 . . . . 0.0 111.024 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.46 -35.58 63.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.752 -1.218 . . . . 0.0 108.945 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.59 -50.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.664 -0.647 . . . . 0.0 110.384 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -53.17 -28.07 24.55 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.13 -0.981 . . . . 0.0 109.057 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.66 -14.04 57.15 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.59 150.33 31.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.938 -1.101 . . . . 0.0 109.913 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.9 m-20 -65.92 157.87 29.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.906 -1.121 . . . . 0.0 108.785 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.52 -25.94 1.65 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.5 ' H ' ' C ' ' A' ' 26' ' ' ASP . 23.4 mmt -95.34 137.92 22.0 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.592 -0.946 . . . . 0.0 109.449 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' MET . 91.8 Cg_exo -40.48 168.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 122.051 1.834 . . . . 0.0 112.495 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.51 29.54 7.82 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.11 139.59 28.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.681 -0.893 . . . . 0.0 108.687 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.0 t -55.08 -46.22 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.9 . . . . 0.0 109.894 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.69 84.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 0.0 109.609 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.1 -36.0 20.33 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.02 -58.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.175 -1.191 . . . . 0.0 108.826 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.502 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 90.2 m-70 -50.53 -21.5 1.54 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 12.2 t80 -63.02 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.45 -0.781 . . . . 0.0 109.054 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 8.5 ptm180 -57.34 -28.5 63.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.133 -0.979 . . . . 0.0 110.138 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.3 72.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.927 -1.108 . . . . 0.0 110.583 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.7 p30 -73.41 -39.89 64.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.667 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.01 -37.53 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.825 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.51 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 33.8 mt-30 -86.04 -29.06 23.73 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.185 -0.947 . . . . 0.0 109.511 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.34 54.89 2.86 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 40.1 m0 -66.91 143.01 57.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -1.168 . . . . 0.0 109.399 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.8 m -73.16 117.06 14.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -104.99 137.93 41.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.211 1.005 . . . . 0.0 112.515 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -111.52 138.73 47.66 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -72.27 132.42 44.03 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.259 -0.9 . . . . 0.0 110.362 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -109.71 150.26 28.55 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.5 mt-10 -130.49 -43.35 1.14 Allowed 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.177 -0.952 . . . . 0.0 110.896 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.51 -35.92 0.02 OUTLIER Glycine 0 N--CA 1.502 3.055 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' GLU . 48.7 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.191 -1.182 . . . . 0.0 110.156 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.9 mttm -53.75 -166.27 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.834 0.826 . . . . 0.0 110.287 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.09 -29.28 0.19 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 66.99 -34.09 0.19 Allowed Glycine 0 N--CA 1.492 2.379 0 O-C-N 120.8 -1.412 . . . . 0.0 110.052 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.3 mtpp -62.04 -8.58 5.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.033 -1.275 . . . . 0.0 109.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.76 129.67 23.4 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 0.0 110.485 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 58' ' ' VAL . 9.8 p -144.78 127.97 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.66 165.39 12.34 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.926 -1.109 . . . . 0.0 109.985 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -118.52 146.84 44.23 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -77.15 119.2 20.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.284 -0.885 . . . . 0.0 111.069 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.56 -28.88 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.548 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -74.62 -6.23 47.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.8 -0.563 . . . . 0.0 110.095 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.8 p -100.52 -6.54 25.29 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.488 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.8 mmt -72.44 150.24 91.49 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.661 -0.65 . . . . 0.0 109.872 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 143.31 0.77 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.524 1.482 . . . . 0.0 110.876 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -44.75 -60.57 1.96 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.057 -1.027 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -52.04 -43.69 63.89 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.312 -0.867 . . . . 0.0 109.44 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.71 -36.67 79.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.269 -0.894 . . . . 0.0 110.002 -179.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -52.62 -62.24 1.77 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.936 -1.102 . . . . 0.0 109.748 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -57.98 -32.95 68.38 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.22 -52.45 47.79 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.647 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.87 -48.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.738 -0.601 . . . . 0.0 109.952 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.0 -35.99 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.963 -1.085 . . . . 0.0 108.406 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.56 -40.63 49.18 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.18 -38.88 90.77 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -72.6 -46.37 54.51 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.81 37.72 4.1 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.032 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 79' ' ' LEU . 4.2 mm? . . . . . 0 N--CA 1.508 2.444 0 O-C-N 120.584 -1.539 . . . . 0.0 108.409 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 17.2 t -160.85 -178.84 7.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.0 mp -140.61 160.35 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 0.0 109.365 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.582 ' N ' HG22 ' A' ' 15' ' ' ILE . 22.9 m95 -143.22 151.2 40.33 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.9 m -152.51 156.51 39.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.317 -0.864 . . . . 0.0 111.111 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.18 163.65 56.34 Favored Pre-proline 0 C--N 1.303 -1.444 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.42 -31.3 94.57 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 121.999 1.799 . . . . 0.0 111.402 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.72 -38.61 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 109.901 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -77.3 -38.0 51.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.038 -1.039 . . . . 0.0 108.827 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.41 -56.14 9.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.605 -0.684 . . . . 0.0 109.557 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.451 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -52.13 -24.22 6.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.33 -13.47 59.62 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.811 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.52 162.76 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 109.693 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 28' ' ' MET . 62.1 m-20 -63.94 -80.62 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.303 -0.873 . . . . 0.0 112.255 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.72 -6.42 0.04 OUTLIER Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' ASP . 14.2 mmt -97.11 153.04 38.62 Favored Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.258 . . . . 0.0 110.187 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' MET . 22.3 Cg_endo -61.69 173.25 2.99 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.187 1.925 . . . . 0.0 111.57 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.75 36.13 3.89 Favored Glycine 0 N--CA 1.499 2.899 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -144.21 129.65 18.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.486 -1.008 . . . . 0.0 108.724 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 t -51.77 -31.78 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.135 -0.978 . . . . 0.0 109.17 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -40.31 41.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.248 -0.907 . . . . 0.0 109.159 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.27 -44.67 52.33 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.24 -55.43 24.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.149 -1.206 . . . . 0.0 108.352 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.418 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 76.5 m-70 -49.99 -25.08 2.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.345 -0.847 . . . . 0.0 109.301 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 13.8 t80 -61.65 -77.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 0.0 109.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -58.4 -27.83 64.63 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.237 -0.914 . . . . 0.0 109.673 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.11 -54.03 35.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.801 -1.187 . . . . 0.0 110.115 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.8 p30 -75.4 -38.54 59.85 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 110.213 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -71.58 -36.32 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.244 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -82.92 -26.04 31.85 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.907 -1.121 . . . . 0.0 110.0 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.92 51.74 3.5 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -68.23 144.11 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.377 -1.072 . . . . 0.0 109.716 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -75.05 127.03 32.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CB ' ' NZ ' ' A' ' 46' ' ' LYS . 9.7 mtpm? -104.26 152.93 21.62 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 122.919 1.342 . . . . 0.0 112.573 -177.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -139.5 123.44 17.69 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -71.17 138.69 49.79 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.358 -176.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -112.05 153.16 27.29 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' VAL . 37.7 mm-40 -130.64 -44.06 1.1 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -34.23 -29.07 0.01 OUTLIER Glycine 0 N--CA 1.5 2.905 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 50' ' ' GLU . 88.4 t -88.94 124.41 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.1 -1.235 . . . . 0.0 109.81 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 121.75 11.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.381 -0.824 . . . . 0.0 108.941 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 152.65 -28.7 0.84 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.51 -33.68 0.57 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.9 mtpp -80.15 1.66 27.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.138 -1.213 . . . . 0.0 109.749 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.75 122.3 18.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.226 -0.921 . . . . 0.0 111.185 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.41 136.81 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.452 -0.78 . . . . 0.0 108.937 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -98.78 172.56 7.37 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.086 -1.009 . . . . 0.0 109.681 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -127.06 151.47 48.58 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' SD ' ' A' ' 65' ' ' MET . 51.9 t0 -77.51 114.44 16.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.159 -0.963 . . . . 0.0 111.279 -178.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.5 t -63.26 -27.01 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.054 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mmt -70.6 -2.1 13.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 0.0 109.009 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 82.4 p -104.96 -11.63 16.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.643 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.33 147.43 98.22 Favored Pre-proline 0 C--N 1.307 -1.243 0 O-C-N 121.433 -0.792 . . . . 0.0 109.376 -179.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' THR . 89.0 Cg_exo -42.66 141.58 2.35 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.583 1.522 . . . . 0.0 111.178 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PRO . 94.1 m -40.07 -62.97 0.66 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.478 -0.764 . . . . 0.0 110.472 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -51.18 -46.99 62.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 109.494 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -59.28 -36.74 76.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 0.0 110.299 -178.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -53.93 -46.83 71.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.799 -1.188 . . . . 0.0 109.18 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -59.77 -37.34 78.78 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -64.04 -47.63 79.43 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.199 -1.0 . . . . 0.0 108.429 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.65 -52.04 31.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.4 mt -55.46 -39.32 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.177 -0.952 . . . . 0.0 108.911 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.75 -41.59 59.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.113 -0.992 . . . . 0.0 108.53 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.5 -36.43 80.48 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.61 29.93 5.74 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 N--CA 1.503 2.179 0 O-C-N 120.784 -1.421 . . . . 0.0 108.609 178.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.443 ' C ' HD12 ' A' ' 15' ' ' ILE . 28.0 t -159.69 177.26 11.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.088 -1.008 . . . . 0.0 109.794 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.57 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.2 mp -142.14 159.42 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.932 0.872 . . . . 0.0 109.162 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.57 ' N ' HG22 ' A' ' 15' ' ' ILE . 9.4 m95 -141.07 155.19 46.18 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.423 0.63 . . . . 0.0 109.725 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 17.3 m -150.23 156.63 41.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 110.566 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.34 165.3 51.12 Favored Pre-proline 0 C--N 1.303 -1.414 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.51 -32.93 94.21 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 121.968 1.778 . . . . 0.0 111.436 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.65 -37.21 78.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 110.394 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -78.11 -37.82 45.39 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.974 -1.079 . . . . 0.0 109.271 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.38 -52.78 20.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.573 -0.705 . . . . 0.0 109.527 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -27.02 17.65 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.99 0.9 . . . . 0.0 108.748 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.49 -14.27 58.4 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.827 -0.546 . . . . 0.0 110.206 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.94 154.26 31.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.03 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 28' ' ' MET . 6.4 m-20 -67.95 151.81 46.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.11 -23.01 2.27 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' ASP . 9.0 mmt -92.16 138.76 24.29 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.35 -1.088 . . . . 0.0 109.258 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.7 Cg_exo -41.41 169.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.055 1.837 . . . . 0.0 112.322 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.16 36.31 3.47 Favored Glycine 0 N--CA 1.5 2.935 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.7 m -146.21 134.11 21.33 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -1.065 . . . . 0.0 109.356 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.54 -43.07 52.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 108.959 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.73 -28.68 62.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.215 -0.928 . . . . 0.0 108.703 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.16 92.33 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.89 -57.07 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -1.104 . . . . 0.0 108.849 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.52 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 66.2 m-70 -47.27 -32.62 4.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.02 -74.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.331 -0.855 . . . . 0.0 108.973 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -51.69 -31.53 26.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 109.613 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -57.27 13.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.243 -0.91 . . . . 0.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.09 -38.34 66.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.993 . . . . 0.0 109.678 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.83 -45.47 91.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.479 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -86.37 -34.27 20.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.306 -0.871 . . . . 0.0 109.893 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.92 55.61 1.6 Allowed Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -67.31 145.43 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -1.136 . . . . 0.0 109.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.4 m -74.91 119.5 19.18 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -105.8 137.32 43.88 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.196 0.998 . . . . 0.0 112.456 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 14.0 ttp180 -117.95 108.34 15.16 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -68.06 129.95 41.47 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -177.217 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -75.95 171.92 13.61 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -131.74 -58.34 0.97 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.125 -0.984 . . . . 0.0 111.142 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -3.62 1.51 Allowed Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.311 -0.868 . . . . 0.0 112.153 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.9 t -90.67 137.06 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.478 -1.601 . . . . 0.0 110.504 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 55' ' ' GLY . 39.0 mttp -51.8 173.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.764 0.792 . . . . 0.0 110.258 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.07 -30.62 0.11 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 67.63 -13.22 0.64 Allowed Glycine 0 N--CA 1.492 2.385 0 O-C-N 120.856 -1.379 . . . . 0.0 109.857 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.3 mtpp -75.95 -18.96 59.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.259 . . . . 0.0 109.141 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 120.55 7.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.758 . . . . 0.0 111.166 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p -141.45 141.03 30.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 108.842 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -100.16 168.07 10.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.355 -0.84 . . . . 0.0 109.019 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.77 150.31 41.19 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.405 ' O ' ' OG ' ' A' ' 64' ' ' SER . 54.8 t0 -74.07 113.64 11.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 0.0 110.973 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.93 -25.55 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -70.5 -5.48 29.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 79.6 p -102.96 -8.32 20.75 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.641 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -70.03 139.55 87.89 Favored Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 121.144 -0.973 . . . . 0.0 109.261 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' THR . 62.2 Cg_exo -39.58 143.16 0.39 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.7 1.6 . . . . 0.0 111.336 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.4 m -41.91 -65.61 0.43 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -49.11 -45.58 43.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.321 -0.862 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.73 -34.11 75.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 110.687 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -55.22 -42.81 73.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.758 -1.214 . . . . 0.0 108.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -61.58 -40.11 93.61 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -64.81 -45.66 85.26 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.411 -0.916 . . . . 0.0 108.632 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.59 -51.82 38.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 78' ' ' GLY . 36.8 mt -56.14 -45.6 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 109.023 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.29 73.6 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.694 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.55 -37.76 88.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 77' ' ' LEU . 20.9 mt -73.2 -38.86 65.97 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.91 36.82 7.06 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.497 1.892 0 O-C-N 121.213 -1.169 . . . . 0.0 108.804 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -159.12 172.84 17.37 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.302 -0.874 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.525 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 69.7 mt -143.11 160.5 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 16.1 m95 -145.91 159.38 43.31 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -149.29 158.34 44.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.005 -1.059 . . . . 0.0 111.006 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.14 150.54 68.41 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.33 -50.11 4.62 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.982 1.788 . . . . 0.0 112.651 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -56.39 -32.52 64.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.453 -0.779 . . . . 0.0 111.434 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -74.92 -35.35 62.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.563 -1.336 . . . . 0.0 108.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.03 -54.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.428 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -50.14 -26.11 4.22 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.238 -179.493 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.49 -10.63 59.44 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.746 -0.596 . . . . 0.0 110.302 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.47 157.28 22.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.663 -1.273 . . . . 0.0 109.458 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 2.2 m-20 -70.13 165.12 22.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.969 -1.082 . . . . 0.0 108.86 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.89 -15.85 2.16 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -89.92 151.3 45.13 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 120.97 -1.312 . . . . 0.0 109.872 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -36.19 -67.82 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.035 2.49 . . . . 0.0 112.823 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.69 14.25 4.83 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.6 m -146.71 147.74 31.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.516 -0.991 . . . . 0.0 109.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -55.3 -56.24 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.083 -1.011 . . . . 0.0 109.206 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.09 74.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.918 -1.114 . . . . 0.0 108.814 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.28 -38.33 77.68 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.27 -50.02 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.923 -1.339 . . . . 0.0 108.81 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.452 ' ND1' ' OH ' ' A' ' 60' ' ' TYR . 74.1 m-70 -59.9 -23.07 63.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.224 -0.922 . . . . 0.0 109.56 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -60.93 -75.21 0.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 108.909 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.66 -35.88 63.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.305 -0.872 . . . . 0.0 109.902 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.56 39.07 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.087 -1.008 . . . . 0.0 110.628 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.6 p30 -75.08 -44.81 45.39 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.186 -0.947 . . . . 0.0 110.076 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.5 -42.74 92.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.616 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 67.8 mt-30 -85.26 -35.5 21.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.263 -0.898 . . . . 0.0 109.547 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.61 51.53 2.49 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.406 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 41.2 m0 -66.85 147.43 53.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -1.16 . . . . 0.0 109.508 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 m -73.73 118.21 16.42 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -100.52 136.75 39.91 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.326 1.06 . . . . 0.0 112.966 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 8.6 ttm-85 -102.77 139.09 38.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -77.3 119.9 21.59 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 121.154 -0.966 . . . . 0.0 109.914 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -95.47 145.18 25.36 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 52' ' ' VAL . 16.8 mt-10 -130.7 -50.33 1.06 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.378 -0.826 . . . . 0.0 109.667 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -39.37 -25.52 0.05 OUTLIER Glycine 0 N--CA 1.498 2.801 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' GLU . 9.9 t -88.41 128.9 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.153 -1.204 . . . . 0.0 109.07 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -54.53 145.58 18.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.483 -0.761 . . . . 0.0 109.28 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 115.34 -34.37 4.84 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.71 -37.5 0.37 Allowed Glycine 0 N--CA 1.493 2.443 0 O-C-N 121.207 -1.172 . . . . 0.0 110.297 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.8 mtpp -66.33 -11.22 49.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.25 . . . . 0.0 109.006 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.74 135.75 57.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.521 -0.737 . . . . 0.0 111.156 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 m -142.09 137.34 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.47 171.2 8.71 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.062 -1.024 . . . . 0.0 109.071 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.452 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 91.6 m-85 -127.14 147.86 50.17 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.424 -0.798 . . . . 0.0 109.407 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -77.44 114.32 16.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.793 . . . . 0.0 110.377 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.76 -28.95 44.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.321 -0.862 . . . . 0.0 108.782 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmt -72.77 0.32 11.2 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 109.599 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.8 p -108.2 -12.04 15.15 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.369 -0.832 . . . . 0.0 109.312 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtt -74.0 147.76 86.29 Favored Pre-proline 0 N--CA 1.484 1.233 0 O-C-N 120.88 -1.138 . . . . 0.0 108.743 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 72.7 Cg_exo -41.53 139.06 2.09 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.415 1.41 . . . . 0.0 110.398 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 22.4 m -44.09 -54.7 5.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.207 -0.933 . . . . 0.0 109.86 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.66 -47.06 70.73 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.091 -1.005 . . . . 0.0 108.776 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -64.96 -53.27 49.0 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.854 . . . . 0.0 110.996 -179.051 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -56.88 -26.35 58.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.978 -1.077 . . . . 0.0 109.719 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -65.87 -37.8 87.12 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.44 ' N ' HE21 ' A' ' 72' ' ' GLN . 2.6 mm-40 -62.31 -41.04 98.2 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 t -70.71 -57.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.84 -36.56 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -0.931 . . . . 0.0 108.623 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.85 -42.85 26.47 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.431 -0.908 . . . . 0.0 108.727 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.53 -38.25 90.42 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 106.943 -1.502 . . . . 0.0 106.943 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 77' ' ' LEU . 18.7 mt -71.06 -38.48 72.5 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.01 40.85 7.36 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 N--CA 1.498 1.951 0 O-C-N 121.219 -1.166 . . . . 0.0 109.229 179.808 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 pttm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.4 t -159.15 173.04 17.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 64.4 mt -141.59 164.66 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 21.1 m95 -148.17 153.58 38.99 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.621 -0.674 . . . . 0.0 109.718 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 m -149.65 153.47 37.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 0.0 110.648 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 p -81.5 150.99 68.06 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -41.82 -46.89 6.55 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.137 1.891 . . . . 0.0 112.865 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.561 ' NE2' ' CE ' ' A' ' 23' ' ' MET . 26.8 mm-40 -54.8 -33.17 61.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.81 -36.62 56.81 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ALA . 69.5 mt -74.88 -59.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.561 ' CE ' ' NE2' ' A' ' 20' ' ' GLN . 2.1 ptt? -52.24 -24.27 7.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.582 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -16.65 54.15 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.421 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.38 150.93 31.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.05 -1.031 . . . . 0.0 109.761 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.48 152.0 46.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.062 -1.024 . . . . 0.0 108.867 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -23.21 4.09 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' PRO . 10.5 mmt -92.61 143.35 27.01 Favored Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.229 -1.16 . . . . 0.0 109.67 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' MET . 86.8 Cg_exo -40.94 170.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.189 1.926 . . . . 0.0 112.653 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.66 7.07 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.49 138.87 26.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.454 -1.027 . . . . 0.0 109.02 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 t -54.84 -46.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.427 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.29 79.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.801 -1.187 . . . . 0.0 108.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.39 -32.65 64.43 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.5 -51.9 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.412 -1.052 . . . . 0.0 108.645 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 89.7 m-70 -64.76 -21.97 66.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.389 -0.819 . . . . 0.0 109.728 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 37.3 t80 -62.57 -76.66 0.06 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.657 ' NH1' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -55.7 -28.83 57.76 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.228 -0.92 . . . . 0.0 109.958 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.15 -49.07 72.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 110.369 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 11.5 p30 -73.14 -43.94 60.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.099 -1.001 . . . . 0.0 109.508 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 43.7 t -57.74 -43.59 84.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.566 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.657 HE21 ' NH1' ' A' ' 38' ' ' ARG . 13.1 mm-40 -87.0 -43.2 12.52 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.346 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 99.13 57.23 0.97 Allowed Glycine 0 N--CA 1.498 2.81 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -68.24 142.42 55.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.237 -1.155 . . . . 0.0 110.321 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.3 m -73.57 142.54 46.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -134.8 133.83 40.23 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.649 1.214 . . . . 0.0 111.773 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.99 137.9 39.66 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 8.3 tmtt? -72.34 123.38 22.9 Favored 'General case' 0 C--N 1.29 -2.002 0 O-C-N 121.379 -0.826 . . . . 0.0 110.121 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -103.76 153.15 21.02 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 22.5 mt-10 -131.27 -42.72 1.06 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.315 -0.865 . . . . 0.0 110.619 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.96 -35.26 0.01 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 28.6 t -91.3 143.98 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.154 -1.203 . . . . 0.0 109.929 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 1.9 mtpm? -51.53 -171.04 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.722 0.772 . . . . 0.0 110.009 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.26 -46.4 1.02 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 83.94 -34.11 3.03 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HB2' ' HZ3' ' A' ' 56' ' ' LYS . 19.8 mtmm -65.93 4.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.409 -1.054 . . . . 0.0 108.821 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -68.2 123.61 21.16 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.438 -0.789 . . . . 0.0 111.0 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.47 133.18 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.25 166.83 11.71 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.186 -0.946 . . . . 0.0 109.827 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -116.47 149.21 39.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -79.67 110.69 15.24 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.323 -0.861 . . . . 0.0 110.778 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.51 -25.55 38.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.4 mmm -72.83 1.61 8.28 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.611 -0.836 . . . . 0.0 108.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.7 p -111.11 -11.78 14.23 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 mtt -73.69 156.7 88.27 Favored Pre-proline 0 N--CA 1.485 1.303 0 O-C-N 121.172 -0.955 . . . . 0.0 109.187 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -39.45 136.32 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.263 1.976 . . . . 0.0 111.821 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.2 m -43.41 -57.88 2.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.286 -0.884 . . . . 0.0 110.077 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -49.91 -49.55 49.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.061 -1.024 . . . . 0.0 109.233 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.72 -28.56 69.97 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 0.0 111.116 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -57.55 -61.03 2.79 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.63 -1.294 . . . . 0.0 109.926 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 4.3 pt-20 -59.95 -33.31 71.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 108.565 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.23 -51.35 61.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.951 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.46 -51.5 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 78' ' ' GLY . 68.8 mt -54.81 -38.52 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.88 74.88 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.671 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -63.06 -36.34 83.26 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' A' ' 79' ' ' LEU . 85.4 mt -72.49 -39.78 67.41 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.65 33.01 9.51 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.844 -1.702 . . . . 0.0 108.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 77' ' ' LEU . 5.0 mp . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.513 -0.992 . . . . 0.0 108.864 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.5 t -161.62 179.08 8.46 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.33 -0.856 . . . . 0.0 109.5 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 64.8 mt -142.63 163.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 21.4 m95 -146.47 155.4 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -149.64 156.67 42.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.164 -0.96 . . . . 0.0 110.674 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -79.97 145.17 60.79 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -40.24 -42.57 3.63 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.937 1.758 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -56.86 -33.03 66.4 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.497 -0.752 . . . . 0.0 111.47 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.94 -36.79 59.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.62 -1.3 . . . . 0.0 109.368 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.2 mt -75.13 -54.52 13.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.417 -0.802 . . . . 0.0 110.565 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' PRO . 1.1 ptt? -52.39 -24.83 8.4 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.27 -14.38 57.47 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.737 -0.602 . . . . 0.0 109.679 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.75 153.0 31.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.56 149.59 48.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.445 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.74 -19.74 7.08 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.5 mmt -96.78 145.13 29.06 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.208 -1.172 . . . . 0.0 110.543 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' MET . 87.7 Cg_exo -44.95 175.14 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.908 1.738 . . . . 0.0 112.365 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.6 31.49 5.0 Favored Glycine 0 N--CA 1.499 2.855 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 p -148.37 143.42 26.83 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.358 -1.083 . . . . 0.0 109.178 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.84 -53.75 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.018 -1.051 . . . . 0.0 109.491 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.72 -35.16 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.777 -1.202 . . . . 0.0 108.867 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.38 64.41 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.12 -46.86 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.057 -1.261 . . . . 0.0 108.762 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.501 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 74.6 m-70 -61.38 -23.54 65.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.315 -0.866 . . . . 0.0 108.97 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 26.3 t80 -58.97 -73.86 0.08 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' HB3' HE21 ' A' ' 42' ' ' GLN . 36.6 mtp180 -56.19 -41.73 76.02 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.258 -0.901 . . . . 0.0 110.271 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.04 -47.76 64.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 0.0 111.133 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.9 p30 -73.81 -43.22 59.47 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.937 -1.102 . . . . 0.0 109.47 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.2 t -64.84 -39.89 87.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.756 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.57 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 32.7 mt-30 -88.22 -36.35 16.82 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 0.0 110.102 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.28 53.48 2.48 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.57 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 39.3 m0 -68.05 149.27 49.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -1.12 . . . . 0.0 110.472 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.4 m -74.37 152.32 39.58 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -143.89 132.92 22.83 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.638 -1.289 . . . . 0.0 113.015 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -98.3 124.94 43.19 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 126.73 31.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.309 -0.869 . . . . 0.0 111.633 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -86.49 159.39 19.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.395 -0.815 . . . . 0.0 108.919 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.2 mt-10 -131.86 -59.33 0.95 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.219 -0.926 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -44.68 -14.76 0.04 OUTLIER Glycine 0 N--CA 1.495 2.621 0 O-C-N 121.465 -0.772 . . . . 0.0 111.447 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.2 t -88.95 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.763 -1.433 . . . . 0.0 110.29 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' A' ' 55' ' ' GLY . 35.5 mttt -48.97 173.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.349 -0.844 . . . . 0.0 109.189 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.68 -38.11 0.13 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 71.52 -16.24 1.38 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.598 ' O ' HG13 ' A' ' 58' ' ' VAL . 20.2 mtpp -74.32 -17.76 60.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -1.112 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.69 133.23 17.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 110.812 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 56' ' ' LYS . 26.5 m -141.04 135.33 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.516 -0.74 . . . . 0.0 109.084 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.6 171.45 9.01 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.072 -1.018 . . . . 0.0 108.932 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -125.38 147.62 49.09 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -76.98 111.62 12.73 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.862 . . . . 0.0 110.864 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.25 -27.45 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -5.33 36.18 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.0 p -105.97 -9.91 16.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.404 -0.81 . . . . 0.0 109.278 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.5 mtt -73.26 156.98 88.81 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.077 . . . . 0.0 109.801 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' THR . 88.4 Cg_exo -42.39 139.61 2.84 Favored 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.965 1.777 . . . . 0.0 111.071 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' PRO . 11.0 m -44.31 -54.91 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.284 -0.885 . . . . 0.0 109.656 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -54.15 -49.82 68.37 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.289 -0.882 . . . . 0.0 109.198 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -56.06 -40.67 73.91 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.305 -0.872 . . . . 0.0 109.906 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -52.22 -43.85 64.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.966 -1.084 . . . . 0.0 108.978 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.06 -38.65 89.6 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.51 -45.98 84.91 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.398 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -71.79 -52.58 24.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' GLY . 57.1 mt -53.03 -35.92 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.39 -0.819 . . . . 0.0 109.089 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.03 -39.64 20.98 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.358 -0.839 . . . . 0.0 108.918 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -60.52 -39.96 89.7 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.8 mt -73.4 -38.22 65.69 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 68.43 44.89 71.39 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.506 2.351 0 O-C-N 121.478 -1.013 . . . . 0.0 110.234 -179.671 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 27.4 t -161.49 -178.82 6.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.331 -0.856 . . . . 0.0 109.428 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 16' ' ' TRP . 62.8 mt -140.45 163.67 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.54 ' N ' HG22 ' A' ' 15' ' ' ILE . 33.0 m95 -146.88 159.5 43.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.793 -0.567 . . . . 0.0 109.525 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.2 m -150.12 156.94 42.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.165 -0.96 . . . . 0.0 110.869 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 156.95 77.85 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.71 -44.89 44.3 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.938 1.759 . . . . 0.0 111.23 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.33 -26.74 65.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.451 -0.781 . . . . 0.0 110.587 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -78.32 -42.49 30.54 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.788 -1.195 . . . . 0.0 109.12 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -72.2 -52.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 109.952 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -52.6 -28.77 22.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.257 -0.902 . . . . 0.0 108.994 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.67 59.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.717 -0.615 . . . . 0.0 110.07 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 146.89 29.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.784 -1.198 . . . . 0.0 109.491 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.11 160.11 16.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.763 -1.21 . . . . 0.0 108.783 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.82 -20.67 6.2 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.2 mmt -91.25 149.3 39.5 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.118 -1.225 . . . . 0.0 109.888 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -33.61 -67.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.962 2.441 . . . . 0.0 113.021 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.57 14.29 4.88 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -146.9 144.46 29.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.325 -1.103 . . . . 0.0 109.306 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 32' ' ' VAL . 5.8 t -54.08 -45.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.035 -1.041 . . . . 0.0 108.749 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.43 -24.86 63.89 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.188 -0.945 . . . . 0.0 108.79 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.67 92.86 Favored Glycine 0 N--CA 1.487 2.046 0 N-CA-C 108.926 -1.669 . . . . 0.0 108.926 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.96 -53.67 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.909 -1.348 . . . . 0.0 108.917 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 85.4 m-70 -52.16 -27.9 16.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.134 -0.978 . . . . 0.0 109.251 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.9 t80 -61.31 -74.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 108.968 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -54.9 -38.23 67.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.37 -49.12 62.11 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.254 -0.904 . . . . 0.0 110.405 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -75.14 -46.49 33.96 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.015 -1.053 . . . . 0.0 109.568 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.428 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.8 t -62.17 -40.79 88.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.626 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -85.37 -40.99 15.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.155 -0.965 . . . . 0.0 109.339 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 89.16 53.51 2.49 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.95 154.33 41.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.19 -1.182 . . . . 0.0 109.237 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 m -71.94 158.52 35.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -139.22 130.72 27.13 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.639 1.209 . . . . 0.0 112.317 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.23 119.4 39.3 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -74.42 129.59 38.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.802 0.81 . . . . 0.0 111.919 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.95 161.45 15.17 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 52' ' ' VAL . 11.5 mt-10 -131.45 -60.2 0.95 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.071 -1.018 . . . . 0.0 110.76 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.04 -12.01 0.04 OUTLIER Glycine 0 N--CA 1.494 2.563 0 O-C-N 121.407 -0.808 . . . . 0.0 111.295 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.8 t -89.26 136.86 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.775 -1.427 . . . . 0.0 110.42 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 55' ' ' GLY . 33.8 mttp -51.33 -178.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 63.36 -34.62 0.08 OUTLIER Glycine 0 N--CA 1.488 2.154 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 73.93 -28.25 0.94 Allowed Glycine 0 N--CA 1.49 2.298 0 O-C-N 120.87 -1.371 . . . . 0.0 109.852 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 54' ' ' GLY . 13.7 mttm -64.86 -15.93 62.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -1.218 . . . . 0.0 109.07 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.13 116.92 2.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.542 -0.724 . . . . 0.0 111.842 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' VAL . 31.6 m -136.19 129.67 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -90.94 173.29 8.05 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.152 -0.968 . . . . 0.0 109.4 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -128.48 149.55 50.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.417 -0.802 . . . . 0.0 109.032 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' O ' ' OG ' ' A' ' 64' ' ' SER . 63.4 t0 -80.53 115.57 20.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.533 -0.73 . . . . 0.0 110.941 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.04 -26.58 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 108.82 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.6 mmt -70.36 0.27 6.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 60.6 p -107.59 -12.0 15.35 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.623 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.57 150.86 97.54 Favored Pre-proline 0 C--N 1.308 -1.221 0 O-C-N 121.311 -0.868 . . . . 0.0 109.222 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 86.6 Cg_exo -42.19 141.74 1.9 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.514 1.476 . . . . 0.0 110.616 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 16.9 m -44.06 -57.28 3.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.249 -0.907 . . . . 0.0 109.8 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -53.3 -46.44 69.37 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.326 -0.859 . . . . 0.0 109.369 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -61.24 -34.64 75.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.269 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -55.12 -56.86 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.901 -1.125 . . . . 0.0 109.689 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -60.24 -36.06 76.89 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -65.12 -49.01 71.59 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.307 -0.957 . . . . 0.0 108.583 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -71.29 -51.71 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.648 -0.658 . . . . 0.0 109.264 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' GLY . 33.2 mt -53.94 -31.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.058 -1.026 . . . . 0.0 108.295 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.81 45.4 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.74 -37.34 86.2 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.22 -38.37 63.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 82.58 37.4 14.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.457 -1.025 . . . . 0.0 109.423 -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -159.61 174.35 14.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.267 -0.895 . . . . 0.0 109.697 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.559 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.8 mt -140.51 163.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.559 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.2 m95 -147.03 157.37 43.59 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.715 -0.616 . . . . 0.0 109.599 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.3 m -148.78 157.4 43.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.923 . . . . 0.0 110.861 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -80.63 149.87 68.79 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -40.57 -54.15 2.44 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.973 1.782 . . . . 0.0 112.441 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -56.83 -27.25 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.604 -0.685 . . . . 0.0 111.591 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.46 -37.98 63.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.591 -1.318 . . . . 0.0 108.657 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.6 mt -75.34 -55.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.513 -0.742 . . . . 0.0 110.41 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.424 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -48.3 -27.55 2.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.055 -1.028 . . . . 0.0 109.537 -179.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -11.96 59.5 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.882 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.64 145.06 28.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.84 -1.163 . . . . 0.0 109.837 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.86 156.47 20.65 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.847 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.25 -16.59 33.06 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.74 149.72 38.38 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.172 -1.193 . . . . 0.0 109.931 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -35.95 -72.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.852 2.368 . . . . 0.0 113.395 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 10.89 2.58 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 t -144.01 147.37 33.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.225 -1.162 . . . . 0.0 108.941 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -56.67 -43.49 79.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.036 -1.04 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.51 77.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.042 -1.036 . . . . 0.0 108.65 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.29 58.82 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.911 -1.675 . . . . 0.0 108.911 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.24 -56.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.11 -1.23 . . . . 0.0 108.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 82.1 m-70 -52.84 -27.62 19.16 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.701 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.75 -75.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.215 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 13.4 mtp180 -53.18 -32.61 48.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.334 -0.854 . . . . 0.0 109.953 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -54.2 -54.23 42.73 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.235 -0.916 . . . . 0.0 110.78 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.84 -43.16 59.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.948 -1.095 . . . . 0.0 109.302 -179.44 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.3 t -57.46 -47.99 83.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.489 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -83.5 -34.14 25.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.368 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 87.62 55.05 2.38 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.04 148.47 51.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.098 -1.236 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.48 149.27 45.99 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.35 132.95 43.4 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.383 1.087 . . . . 0.0 112.117 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -107.44 139.31 42.13 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -73.22 132.57 43.33 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 121.301 -0.874 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 57' ' ' ALA . 50.7 tttt -117.52 147.53 42.69 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.5 mt-10 -131.65 -40.52 1.09 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.024 -1.047 . . . . 0.0 111.096 -178.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -28.93 -34.89 0.01 OUTLIER Glycine 0 N--CA 1.502 3.037 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.074 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.545 ' N ' ' O ' ' A' ' 50' ' ' GLU . 85.7 t -91.29 133.32 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.977 -1.308 . . . . 0.0 110.096 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.42 129.34 41.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.246 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.92 -36.03 1.16 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.04 -43.94 2.74 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -66.17 -5.34 9.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -1.081 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -58.44 113.19 1.86 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 111.394 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.3 m -137.8 136.53 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -94.1 172.12 8.42 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.089 -1.007 . . . . 0.0 109.807 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -127.84 151.27 49.26 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.446 -0.784 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' SD ' ' A' ' 65' ' ' MET . 39.1 t0 -82.01 116.39 21.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 111.472 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.4 -28.6 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 108.805 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mmm -70.85 1.7 5.18 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.5 p -108.89 -7.29 15.48 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.635 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -71.37 148.39 93.44 Favored Pre-proline 0 C--N 1.311 -1.081 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.8 Cg_exo -40.87 133.01 2.7 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 121.325 1.35 . . . . 0.0 110.417 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 51.8 m -37.6 -57.0 0.99 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.527 -0.733 . . . . 0.0 110.462 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -53.15 -49.65 66.17 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.067 -1.021 . . . . 0.0 108.529 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 73.4 mt-10 -63.86 -52.1 61.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 111.309 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -53.31 -38.34 63.1 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.374 -1.454 . . . . 0.0 108.793 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.81 -39.28 90.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.88 -40.89 97.6 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.12 -56.47 9.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.7 mt -50.43 -29.84 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.26 -43.28 21.64 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.866 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.67 -37.01 84.75 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 77' ' ' LEU . 21.2 mt -71.55 -40.19 70.19 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.3 41.65 7.84 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.5 2.048 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.736 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.337 0.589 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 14.5 t -160.99 179.82 8.14 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.295 -0.878 . . . . 0.0 109.576 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 16' ' ' TRP . 67.5 mt -140.94 163.75 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.546 ' N ' HG22 ' A' ' 15' ' ' ILE . 44.1 m95 -147.32 155.56 42.13 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 27.2 m -151.48 154.4 36.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.171 -0.955 . . . . 0.0 111.277 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 p -83.63 149.67 57.87 Favored Pre-proline 0 C--N 1.302 -1.495 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -39.25 -45.11 2.93 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.179 1.919 . . . . 0.0 112.812 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -54.17 -37.84 64.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.41 -0.807 . . . . 0.0 110.889 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -76.02 -35.04 59.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.76 -1.213 . . . . 0.0 109.032 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -75.31 -56.46 8.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.192 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -25.51 7.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 108.932 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.91 -16.83 54.52 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.06 150.34 30.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.878 -1.139 . . . . 0.0 109.903 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.43 ' O ' ' OE1' ' A' ' 72' ' ' GLN . 10.1 m-20 -65.64 150.78 47.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.977 -1.077 . . . . 0.0 108.644 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.44 -27.41 4.68 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 mmt -92.23 123.24 63.08 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.569 -0.96 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD3' HH11 ' A' ' 38' ' ' ARG . 94.6 Cg_exo -41.79 144.6 0.86 Allowed 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.782 1.655 . . . . 0.0 112.329 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.03 38.98 3.15 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -138.02 126.29 23.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.524 -0.986 . . . . 0.0 109.109 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -52.25 -44.66 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.149 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -38.44 65.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.21 -0.931 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.7 54.77 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.86 -50.31 75.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.157 -1.202 . . . . 0.0 108.089 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 36.8 m-70 -54.97 -26.78 38.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.397 -0.814 . . . . 0.0 109.082 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.435 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.6 t80 -58.69 -76.97 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.564 HH21 HE22 ' A' ' 42' ' ' GLN . 7.7 ptm180 -56.62 -29.23 61.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.209 -0.932 . . . . 0.0 110.088 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.89 -54.75 34.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.899 -1.126 . . . . 0.0 110.657 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 10.0 p30 -74.32 -40.92 61.91 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.236 -0.915 . . . . 0.0 110.149 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.65 -37.94 81.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.083 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.564 HE22 HH21 ' A' ' 38' ' ' ARG . 87.3 mt-30 -84.14 -36.98 22.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.031 -1.043 . . . . 0.0 109.942 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 49.73 2.0 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.486 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 40.8 m0 -65.58 155.35 36.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.308 -1.113 . . . . 0.0 109.559 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.6 m -75.47 163.41 27.43 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -141.97 142.58 32.98 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 122.671 1.224 . . . . 0.0 111.39 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -127.82 127.19 43.05 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -70.94 131.67 44.06 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.877 0.846 . . . . 0.0 111.47 -177.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -111.77 142.05 44.62 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.6 mt-10 -130.67 -44.02 1.1 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.256 -0.903 . . . . 0.0 110.221 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -37.23 -25.76 0.01 OUTLIER Glycine 0 N--CA 1.499 2.835 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.8 t -88.61 142.69 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.998 -1.295 . . . . 0.0 109.391 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 171.82 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.953 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 77.83 -33.77 1.66 Allowed Glycine 0 N--CA 1.486 2.005 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.05 -30.53 0.3 Allowed Glycine 0 N--CA 1.493 2.44 0 O-C-N 120.905 -1.35 . . . . 0.0 110.313 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.4 mttp -64.66 -2.13 2.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.064 -1.257 . . . . 0.0 109.3 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.67 128.48 36.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 111.492 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 58' ' ' VAL . 18.6 m -138.11 130.83 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.96 164.06 12.69 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.12 -0.988 . . . . 0.0 110.005 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -117.58 150.24 39.32 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 59.3 t0 -77.69 121.9 24.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.081 -1.012 . . . . 0.0 110.798 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.95 -27.28 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.5 mmt -74.64 -6.45 48.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.797 -0.564 . . . . 0.0 110.224 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 p -102.58 -5.66 23.67 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.486 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.0 mmt -72.63 150.44 91.12 Favored Pre-proline 0 C--N 1.304 -1.386 0 O-C-N 121.507 -0.746 . . . . 0.0 109.445 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' THR . 82.3 Cg_exo -41.27 139.1 1.78 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 121.607 1.538 . . . . 0.0 111.051 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 66' ' ' PRO . 15.0 m -40.87 -58.65 1.63 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.323 -0.86 . . . . 0.0 110.209 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -53.33 -47.51 69.25 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.843 . . . . 0.0 109.284 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.33 -36.94 71.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.215 -178.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -54.46 -47.72 72.61 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.807 -1.183 . . . . 0.0 109.902 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.02 -58.24 9.25 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.618 -0.676 . . . . 0.0 110.105 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' A' ' 69' ' ' GLU . 10.7 pt20 -62.64 -35.86 80.95 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 118.164 -1.414 . . . . 0.0 109.429 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 69' ' ' GLU . 60.1 t -70.33 -48.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' GLY . 50.9 mt -62.67 -37.66 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.47 72.76 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -63.19 -42.36 99.34 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.7 -34.34 69.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 79.9 37.86 21.26 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 N--CA 1.501 2.125 0 O-C-N 121.278 -1.13 . . . . 0.0 108.913 179.506 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.9 t -160.87 175.56 12.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 109.837 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.549 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.4 mt -142.2 162.41 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.549 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.0 m95 -144.48 155.41 43.7 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.775 -0.578 . . . . 0.0 109.547 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -149.81 156.15 41.31 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.223 -0.923 . . . . 0.0 111.051 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -82.0 149.82 63.79 Favored Pre-proline 0 N--CA 1.488 1.465 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.91 -43.5 6.94 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.945 1.763 . . . . 0.0 112.587 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -55.42 -39.5 70.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.526 -0.734 . . . . 0.0 111.052 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.27 -32.7 66.87 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.763 -1.21 . . . . 0.0 108.467 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.442 ' C ' ' N ' ' A' ' 24' ' ' ALA . 61.4 mt -76.92 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.685 -0.634 . . . . 0.0 110.278 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.12 -18.47 0.57 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 22' ' ' ILE . . . -80.55 -18.46 48.34 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.04 163.93 26.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 0.0 109.9 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' MET . 8.8 t70 -65.04 -76.21 0.08 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.382 -0.823 . . . . 0.0 111.671 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' H ' ' HG3' ' A' ' 72' ' ' GLN . . . -48.15 -9.41 0.07 OUTLIER Glycine 0 N--CA 1.496 2.665 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -178.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 26' ' ' ASP . 13.1 mmt -100.59 134.35 20.67 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.218 -1.166 . . . . 0.0 110.744 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 87.0 Cg_exo -45.06 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.084 1.856 . . . . 0.0 112.73 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.94 38.69 2.61 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -145.54 134.32 22.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.389 -1.065 . . . . 0.0 108.791 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.28 -45.32 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.042 -1.036 . . . . 0.0 109.084 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.06 64.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.186 -0.946 . . . . 0.0 108.678 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.47 -40.29 92.02 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.68 -53.53 41.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.218 -1.166 . . . . 0.0 108.398 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.519 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.6 m-70 -50.38 -29.77 10.8 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.351 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.413 ' HA ' HD21 ' A' ' 40' ' ' ASN . 30.2 t80 -60.52 -74.99 0.07 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 34.6 ttm180 -53.74 -30.74 45.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.338 -0.851 . . . . 0.0 109.547 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -56.0 -53.33 58.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 110.519 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -73.61 -44.93 55.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 110.054 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 65.6 t -52.43 -45.91 46.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.249 -0.981 . . . . 0.0 109.172 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -86.83 -44.24 11.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 109.177 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 93.27 58.96 1.25 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 27.3 m0 -68.05 159.23 31.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.327 -1.102 . . . . 0.0 109.837 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -74.4 154.83 38.63 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -142.5 131.18 22.66 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 122.729 1.252 . . . . 0.0 112.2 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.516 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 21.1 ttm-85 -97.51 140.52 31.81 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -76.8 125.2 28.87 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.542 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -103.25 141.32 36.1 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 52' ' ' VAL . 36.2 mt-10 -126.4 -37.95 2.16 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.428 -0.795 . . . . 0.0 110.09 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.17 -35.24 0.01 OUTLIER Glycine 0 N--CA 1.502 3.097 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 50' ' ' GLU . 39.7 t -89.85 127.66 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.372 -1.075 . . . . 0.0 108.631 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -57.65 115.67 2.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.107 -0.995 . . . . 0.0 108.859 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.1 -33.47 0.3 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.87 -38.94 1.1 Allowed Glycine 0 N--CA 1.493 2.454 0 O-C-N 121.206 -1.173 . . . . 0.0 110.9 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.659 ' HZ3' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -77.21 -1.74 31.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.94 -1.329 . . . . 0.0 109.898 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.22 131.67 47.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.993 . . . . 0.0 110.051 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' VAL . 20.9 m -144.73 134.71 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.364 -0.835 . . . . 0.0 109.402 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -96.18 170.1 9.49 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.198 -0.939 . . . . 0.0 109.467 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -120.77 150.4 41.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.422 -0.799 . . . . 0.0 109.438 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -80.06 110.97 15.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 110.211 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.15 -29.28 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.239 -0.913 . . . . 0.0 108.903 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.9 mmt -71.16 -0.48 9.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.467 -0.771 . . . . 0.0 109.214 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.3 p -107.98 -10.39 15.51 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 mtt -73.48 144.36 83.68 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 120.905 -1.122 . . . . 0.0 108.073 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.4 Cg_exo -42.26 139.79 2.63 Favored 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 121.005 1.137 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 9.1 m -41.15 -61.18 1.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.327 -0.858 . . . . 0.0 110.491 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -51.89 -44.99 63.99 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.929 -1.107 . . . . 0.0 109.059 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -63.7 -54.49 34.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.838 . . . . 0.0 110.446 -179.405 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -57.6 -28.56 63.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.096 -1.003 . . . . 0.0 109.812 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -62.83 -38.67 91.68 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.807 -1.183 . . . . 0.0 108.507 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.484 ' HG3' ' H ' ' A' ' 27' ' ' GLY . 32.0 mm-40 -64.39 -41.19 96.8 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.749 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' LEU . 3.2 t -71.34 -56.39 10.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 79' ' ' LEU . 43.5 mt -54.32 -37.43 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.59 -42.79 33.83 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.076 -1.015 . . . . 0.0 108.571 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -63.5 -33.88 76.55 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . 57.3 mt -71.69 -46.98 57.11 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.01 21.07 5.05 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' HB2' HG23 ' A' ' 74' ' ' ILE . 6.0 mp . . . . . 0 N--CA 1.497 1.897 0 O-C-N 121.028 -1.277 . . . . 0.0 108.152 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 14' ' ' SER . 21.9 ttpt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.403 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 21.4 t -160.71 173.57 15.23 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.276 -0.89 . . . . 0.0 109.401 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 16' ' ' TRP . 62.1 mt -141.84 164.87 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.55 ' N ' HG22 ' A' ' 15' ' ' ILE . 32.1 m95 -148.18 153.28 38.58 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 109.776 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 6.0 m -151.81 153.9 35.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.3 -0.875 . . . . 0.0 110.782 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.51 162.3 63.86 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.75 -35.16 97.66 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.104 1.869 . . . . 0.0 111.433 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.434 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -59.5 -40.7 87.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.521 -0.737 . . . . 0.0 110.18 -179.806 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -73.11 -35.13 66.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.995 -1.065 . . . . 0.0 108.961 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.526 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 86.6 mt -74.09 -58.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.71 -0.619 . . . . 0.0 111.009 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.67 -24.16 3.14 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.038 -1.039 . . . . 0.0 108.682 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -18.02 47.31 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.838 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB1' ' HA ' ' A' ' 73' ' ' VAL . . . -79.28 151.27 31.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.934 -1.104 . . . . 0.0 109.951 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.24 149.54 49.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.03 -25.29 6.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.526 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 12.2 mmt -93.66 136.99 23.44 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.589 -0.948 . . . . 0.0 109.467 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 79.9 Cg_exo -42.68 171.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.644 1.562 . . . . 0.0 112.083 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.33 30.98 6.95 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -143.79 139.57 29.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.358 -1.083 . . . . 0.0 109.087 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.9 t -54.39 -41.46 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.54 69.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.039 . . . . 0.0 109.551 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.01 -37.8 23.33 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.8 -57.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.212 -1.17 . . . . 0.0 108.4 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.51 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 43.8 m-70 -51.08 -25.75 5.45 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.344 -0.848 . . . . 0.0 109.637 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 31.6 t80 -61.13 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.291 -0.88 . . . . 0.0 109.312 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.666 HH21 HE22 ' A' ' 42' ' ' GLN . 7.2 ptm180 -56.06 -29.05 59.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.878 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.6 -51.34 67.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.926 -1.109 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.8 p30 -73.62 -41.99 62.06 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.079 -1.013 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.8 t -64.51 -38.96 83.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.705 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.666 HE22 HH21 ' A' ' 38' ' ' ARG . 92.3 mt-30 -85.12 -30.21 24.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.213 -0.93 . . . . 0.0 109.895 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.66 53.9 3.08 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -68.06 149.82 49.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -1.187 . . . . 0.0 109.85 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -72.55 153.77 41.14 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -142.34 131.25 22.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.756 -1.215 . . . . 0.0 111.832 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp180 -105.8 135.4 47.29 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.49 131.82 43.04 Favored 'General case' 0 C--N 1.292 -1.935 0 O-C-N 121.336 -0.853 . . . . 0.0 111.061 -178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 47.0 tttt -119.78 126.56 51.32 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.8 mt-10 -117.58 -38.31 3.32 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.336 -0.852 . . . . 0.0 110.784 -177.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.81 -30.89 0.01 OUTLIER Glycine 0 N--CA 1.501 2.985 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 50' ' ' GLU . 46.0 t -90.15 144.65 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.082 -1.246 . . . . 0.0 110.132 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HZ3' ' HB2' ' A' ' 53' ' ' LYS . 6.2 ttmm -55.63 144.89 25.1 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.48 -45.85 1.22 Allowed Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 -41.52 3.04 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.061 -1.258 . . . . 0.0 110.526 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' ALA . 23.3 mttm -66.71 -14.26 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.95 -1.324 . . . . 0.0 109.714 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . -43.72 125.81 4.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.285 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 58' ' ' VAL . 9.2 p -142.34 129.32 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -94.04 165.97 12.38 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.852 -1.155 . . . . 0.0 109.873 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.6 148.87 43.97 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -80.31 114.04 18.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 111.283 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.05 -27.37 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mtt -72.21 -2.57 19.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.6 p -106.91 -13.75 15.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.262 -0.899 . . . . 0.0 108.971 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mtt -72.07 158.44 87.63 Favored Pre-proline 0 N--CA 1.487 1.382 0 O-C-N 121.052 -1.03 . . . . 0.0 109.455 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.15 141.2 1.14 Allowed 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.125 1.883 . . . . 0.0 111.592 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.9 m -46.23 -56.55 5.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.074 -1.016 . . . . 0.0 109.692 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' C ' HE21 ' A' ' 72' ' ' GLN . 16.4 mmmt -50.55 -47.45 57.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -60.03 -37.15 78.92 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 110.589 -179.083 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -54.9 -53.04 60.61 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.032 -1.042 . . . . 0.0 111.409 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.48 -55.08 35.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 110.639 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.464 ' NE2' ' OE1' ' A' ' 69' ' ' GLU . 13.7 pt20 -61.19 -38.37 86.27 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.713 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 69' ' ' GLU . 78.1 t -69.45 -47.46 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 78' ' ' GLY . 39.2 mt -60.88 -42.63 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.15 85.17 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -64.36 -38.79 92.27 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -71.97 -38.53 69.72 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 86.83 34.27 11.47 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.5 2.069 0 O-C-N 121.299 -1.118 . . . . 0.0 109.254 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tttt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.446 0.641 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -161.7 169.79 20.88 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.44 -0.788 . . . . 0.0 109.091 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 16' ' ' TRP . 63.0 mt -143.62 163.83 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.539 ' N ' HG22 ' A' ' 15' ' ' ILE . 20.6 m95 -148.69 154.71 40.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.664 -0.648 . . . . 0.0 109.481 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 34.1 m -150.67 158.36 44.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.568 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.4 m -80.64 146.62 61.1 Favored Pre-proline 0 N--CA 1.488 1.452 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.55 -46.35 4.55 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 121.919 1.746 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.27 -31.82 65.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.448 -0.783 . . . . 0.0 111.161 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -74.02 -41.03 62.45 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.796 -1.19 . . . . 0.0 109.059 -179.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -74.21 -52.6 19.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 110.215 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -51.58 -23.72 4.54 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 0.0 108.448 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.06 -15.17 54.44 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.885 -0.509 . . . . 0.0 109.862 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.08 29.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.999 -1.063 . . . . 0.0 109.5 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.99 154.86 29.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.079 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.4 -17.46 24.17 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -91.82 148.79 37.85 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 109.628 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -35.57 -61.82 0.26 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.725 2.284 . . . . 0.0 113.145 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.43 17.68 8.02 Favored Glycine 0 N--CA 1.498 2.821 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -145.45 142.21 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.534 -0.98 . . . . 0.0 108.906 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.2 -55.58 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.945 -1.097 . . . . 0.0 108.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.49 74.2 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.18 -39.73 65.0 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.37 -58.35 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.13 -1.218 . . . . 0.0 108.189 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.498 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 61.2 m-70 -46.68 -38.2 9.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.299 -0.876 . . . . 0.0 109.638 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.543 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 23.8 t80 -56.49 -75.72 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.713 ' CZ ' HE21 ' A' ' 42' ' ' GLN . 0.4 OUTLIER -55.49 -32.29 62.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 110.147 179.321 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.11 78.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.824 -1.173 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.5 p30 -73.16 -43.12 61.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.03 -1.044 . . . . 0.0 109.935 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.85 -40.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.305 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.713 HE21 ' CZ ' ' A' ' 38' ' ' ARG . 29.6 mm-40 -86.16 -45.88 10.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.487 -0.758 . . . . 0.0 109.56 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.6 56.0 0.78 Allowed Glycine 0 N--CA 1.496 2.684 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -67.11 140.17 57.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.378 -1.071 . . . . 0.0 109.907 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -72.48 147.69 45.81 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -138.98 132.67 30.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.788 -1.195 . . . . 0.0 111.984 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.539 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 12.4 ttm180 -101.25 139.3 37.12 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -71.98 130.64 41.46 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 121.282 -0.886 . . . . 0.0 110.227 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 57' ' ' ALA . 56.5 tttt -114.14 143.96 43.95 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.9 mm-40 -130.63 -39.11 1.28 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.193 -0.942 . . . . 0.0 110.39 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.11 -35.37 0.01 OUTLIER Glycine 0 N--CA 1.502 3.065 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.2 t -93.18 145.27 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.208 -1.171 . . . . 0.0 109.701 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 52' ' ' VAL . 19.5 mttp -51.24 -177.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.31 -0.869 . . . . 0.0 109.295 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 83.3 -38.89 2.76 Favored Glycine 0 N--CA 1.489 2.219 0 C-N-CA 120.292 -0.956 . . . . 0.0 110.717 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.41 -35.61 0.56 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.0 mtmm -67.15 -1.89 4.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -1.15 . . . . 0.0 109.148 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -60.66 120.65 10.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.278 -0.889 . . . . 0.0 111.504 -178.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 58' ' ' VAL . 34.5 m -136.04 131.85 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -95.42 166.44 11.87 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.125 -0.984 . . . . 0.0 110.018 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -117.16 149.68 39.97 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -79.42 114.85 18.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 111.171 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.41 -27.5 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.177 -0.952 . . . . 0.0 108.534 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.87 -4.07 18.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.9 p -102.63 -6.78 22.38 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.612 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.8 146.45 95.55 Favored Pre-proline 0 N--CA 1.481 1.097 0 O-C-N 121.133 -0.979 . . . . 0.0 108.618 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 69' ' ' GLU . 78.4 Cg_exo -40.87 128.82 2.78 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.249 1.299 . . . . 0.0 110.123 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 66' ' ' PRO . 27.6 m -33.02 -58.17 0.37 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.689 -0.632 . . . . 0.0 111.023 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -54.56 -45.98 73.59 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.858 -1.151 . . . . 0.0 108.698 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' PRO . 64.0 mm-40 -65.54 -49.09 70.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.535 -0.728 . . . . 0.0 112.005 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -53.89 -42.37 68.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.404 -1.435 . . . . 0.0 109.412 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.9 -38.0 89.19 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -64.16 -41.01 97.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.0 -56.88 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 79' ' ' LEU . 82.4 mt -51.11 -41.13 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.92 84.55 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.74 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -63.8 -37.81 88.75 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.3 mt -70.74 -38.76 73.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 90.06 36.2 7.28 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.5 mp . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.518 -0.989 . . . . 0.0 108.412 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HZ2' ' HB3' ' A' ' 13' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 t -161.86 175.23 12.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.332 -0.855 . . . . 0.0 109.743 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.8 mt -141.41 161.85 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 17.2 m95 -144.98 153.6 41.68 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 21.2 m -150.54 155.22 39.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 111.327 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.86 164.04 55.13 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 177.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.53 -33.83 98.35 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.015 1.81 . . . . 0.0 111.346 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.84 -36.22 78.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.372 -0.83 . . . . 0.0 110.594 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -77.91 -35.78 50.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.003 -1.06 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.46 -52.53 19.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -25.99 22.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -14.93 57.63 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.136 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.74 154.5 29.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.8 -1.187 . . . . 0.0 110.17 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 28' ' ' MET . 13.2 m-20 -66.95 153.64 43.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.965 -1.084 . . . . 0.0 108.678 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.03 -23.9 3.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.411 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.7 mmt -91.21 152.69 44.22 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.392 -1.063 . . . . 0.0 109.414 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD3' HH11 ' A' ' 38' ' ' ARG . 18.2 Cg_endo -59.57 169.27 4.38 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.111 1.874 . . . . 0.0 111.84 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.92 36.94 3.77 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' H ' ' A' ' 34' ' ' GLY . 0.7 OUTLIER -145.26 133.64 21.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.92 . . . . 0.0 109.029 -179.238 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 32' ' ' VAL . 14.0 t -53.19 -43.42 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.154 -0.966 . . . . 0.0 109.116 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.93 72.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.247 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' H ' ' HB2' ' A' ' 31' ' ' SER . . . -50.29 -42.6 41.97 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.33 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.163 -1.198 . . . . 0.0 108.526 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.459 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 37.6 m-70 -59.08 -25.35 63.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.282 -0.886 . . . . 0.0 109.454 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.5 t80 -59.98 -77.39 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 29' ' ' PRO . 8.4 ptm180 -52.47 -41.02 62.97 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 110.138 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.25 -31.17 68.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 4.2 p30 -76.83 -44.95 30.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.775 -1.203 . . . . 0.0 109.695 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.54 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.3 p -78.37 -28.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 119.414 -0.914 . . . . 0.0 110.013 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.642 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 33.6 mt-30 -83.29 -21.85 33.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.899 -1.126 . . . . 0.0 109.066 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.03 54.58 11.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.642 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 40.6 m0 -65.3 158.39 26.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -1.176 . . . . 0.0 109.014 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.12 158.69 36.02 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -139.94 138.89 35.95 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.539 1.161 . . . . 0.0 111.658 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 5.2 ttp180 -128.63 115.97 18.87 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.16 119.93 19.04 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.59 174.06 7.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.041 -1.037 . . . . 0.0 108.442 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 52' ' ' VAL . 23.6 mt-10 -131.64 -32.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.204 -0.935 . . . . 0.0 110.25 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.72 25.21 0.03 OUTLIER Glycine 0 N--CA 1.497 2.735 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.586 ' H ' ' C ' ' A' ' 50' ' ' GLU . 18.5 t -142.83 130.3 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.948 -1.324 . . . . 0.0 109.088 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 55' ' ' GLY . 67.7 mttt -47.38 175.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.794 0.807 . . . . 0.0 110.044 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.55 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 71.03 -34.59 0.51 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 69.05 -25.22 0.31 Allowed Glycine 0 N--CA 1.49 2.257 0 O-C-N 120.881 -1.364 . . . . 0.0 109.722 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 54' ' ' GLY . 35.2 mttm -60.86 -20.09 61.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.289 . . . . 0.0 108.494 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.55 125.29 8.15 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.512 0.672 . . . . 0.0 110.134 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -140.31 127.18 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.416 -0.803 . . . . 0.0 109.242 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 1.4 mp0 -92.56 171.52 8.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.175 -0.953 . . . . 0.0 108.722 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.459 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 27.8 m-85 -131.5 148.67 52.65 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.52 ' O ' ' SD ' ' A' ' 65' ' ' MET . 53.2 t0 -76.29 116.82 17.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.46 -25.14 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mmt -70.98 -0.23 8.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 0.0 109.128 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 p -110.65 -8.36 14.6 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.99 151.59 96.11 Favored Pre-proline 0 N--CA 1.483 1.188 0 O-C-N 121.183 -0.948 . . . . 0.0 109.935 -179.202 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -41.85 142.9 1.27 Allowed 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 121.523 1.482 . . . . 0.0 110.683 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -46.94 -51.11 17.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.939 -1.101 . . . . 0.0 108.664 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 68' ' ' LYS . 87.6 mttt -54.75 -53.44 55.0 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.006 179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.0 -35.37 69.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.22 -0.925 . . . . 0.0 110.692 -178.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -55.04 -54.26 45.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.816 -1.177 . . . . 0.0 110.798 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.44 -32.93 70.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.956 -1.09 . . . . 0.0 109.621 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -65.54 -48.45 72.39 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.558 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.1 -54.12 24.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.62 -43.56 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.66 74.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.07 -1.018 . . . . 0.0 108.858 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.8 -37.15 86.29 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 77' ' ' LEU . 21.3 mt -71.57 -40.86 69.66 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.1 31.43 6.57 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.497 1.904 0 O-C-N 121.247 -1.149 . . . . 0.0 108.799 179.857 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 tttp . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 t -161.01 172.34 17.05 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.494 -0.754 . . . . 0.0 109.409 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 16' ' ' TRP . 63.3 mt -142.3 163.45 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' N ' HG22 ' A' ' 15' ' ' ILE . 24.0 m95 -146.79 154.28 41.19 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.7 m -151.41 159.41 44.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.226 -0.921 . . . . 0.0 110.976 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.01 163.38 60.46 Favored Pre-proline 0 C--N 1.303 -1.446 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.89 -37.63 84.61 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.006 1.804 . . . . 0.0 111.667 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.94 -30.04 68.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.43 -0.794 . . . . 0.0 110.744 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.81 -40.29 40.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.895 -1.128 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.94 -51.35 27.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.588 -0.695 . . . . 0.0 110.114 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -28.6 35.6 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.323 -0.861 . . . . 0.0 108.984 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.81 -13.2 59.59 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.796 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.82 150.96 32.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.95 -1.094 . . . . 0.0 109.882 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.8 147.45 53.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.36 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.18 -23.64 5.99 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 29' ' ' PRO . 11.6 mmt -93.58 140.84 23.24 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.368 -1.078 . . . . 0.0 109.412 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 28' ' ' MET . 83.6 Cg_exo -41.89 171.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.91 1.74 . . . . 0.0 112.538 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.84 30.94 5.71 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.37 137.11 24.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.518 -0.99 . . . . 0.0 108.616 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.38 -50.13 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.19 -0.944 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.6 -40.46 79.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.051 -1.03 . . . . 0.0 108.429 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.89 -34.62 45.84 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -65.69 -63.59 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.124 -1.221 . . . . 0.0 109.072 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.455 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 47.2 m-70 -48.89 -25.64 2.02 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.573 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 20.6 t80 -61.0 -75.05 0.07 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.303 -0.873 . . . . 0.0 109.0 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.73 HH21 HE22 ' A' ' 42' ' ' GLN . 48.1 mtp180 -52.31 -35.81 51.51 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.027 . . . . 0.0 109.419 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.77 -54.0 27.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.427 -0.796 . . . . 0.0 110.666 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.7 p30 -74.29 -43.96 54.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.043 -1.035 . . . . 0.0 109.783 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.36 -41.59 87.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.489 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.73 HE22 HH21 ' A' ' 38' ' ' ARG . 64.4 mt-30 -86.66 -41.75 13.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.74 49.82 1.9 Allowed Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -65.93 148.22 52.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -1.123 . . . . 0.0 109.461 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.5 m -71.47 156.89 38.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -141.87 128.92 20.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.671 1.224 . . . . 0.0 112.303 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -101.11 128.08 47.36 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -71.22 123.62 22.63 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 121.287 -0.883 . . . . 0.0 110.28 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ALA . 57.0 tttp -104.17 136.04 44.53 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.8 mt-10 -131.0 -38.77 1.23 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.249 -0.907 . . . . 0.0 110.675 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -32.08 -32.16 0.01 OUTLIER Glycine 0 N--CA 1.503 3.137 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 41.0 t -90.61 155.05 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.196 -1.179 . . . . 0.0 109.577 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' GLY . 70.8 mttt -50.65 -175.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.338 -0.851 . . . . 0.0 110.11 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.66 -39.29 0.18 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 70.18 -21.62 0.51 Allowed Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.015 -1.285 . . . . 0.0 110.044 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.8 mtpp -69.82 -14.07 62.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.096 -1.238 . . . . 0.0 109.326 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -47.49 134.36 12.1 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.421 -0.799 . . . . 0.0 110.855 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.53 126.81 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -94.48 168.91 10.57 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.97 -1.081 . . . . 0.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -124.61 150.87 45.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' SD ' ' A' ' 65' ' ' MET . 20.2 t0 -77.3 113.73 15.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.219 -0.926 . . . . 0.0 111.132 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 88.1 t -62.94 -28.96 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.7 mmt -69.73 -2.52 12.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.265 -0.897 . . . . 0.0 108.732 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.2 p -101.56 -15.11 17.19 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.647 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.26 147.5 98.26 Favored Pre-proline 0 C--N 1.31 -1.12 0 O-C-N 121.227 -0.92 . . . . 0.0 108.914 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -40.15 142.27 0.61 Allowed 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.766 1.644 . . . . 0.0 111.192 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -43.86 -61.73 1.34 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.282 -0.887 . . . . 0.0 110.032 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -50.58 -46.52 57.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.22 -0.925 . . . . 0.0 109.4 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -59.78 -36.75 77.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.544 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -53.84 -45.42 70.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.901 -1.125 . . . . 0.0 109.587 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.677 -0.639 . . . . 0.0 109.329 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -63.91 -44.75 91.98 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.717 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 t -70.17 -52.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.9 mt -56.7 -37.0 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.299 -0.876 . . . . 0.0 108.652 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.89 51.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.71 -40.03 63.89 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.12 35.47 7.58 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 N--CA 1.496 1.833 0 O-C-N 121.293 -1.122 . . . . 0.0 109.076 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 t -161.3 175.38 12.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 109.746 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 16' ' ' TRP . 65.5 mt -143.13 162.53 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.53 ' N ' HG22 ' A' ' 15' ' ' ILE . 18.7 m95 -145.35 155.55 43.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.739 -0.601 . . . . 0.0 109.662 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.8 m -151.46 156.42 40.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 110.919 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -81.66 150.88 67.28 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -41.88 -48.18 6.14 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.13 1.886 . . . . 0.0 112.714 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -56.08 -31.42 63.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.411 -0.806 . . . . 0.0 110.841 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.83 -37.19 56.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.791 -1.193 . . . . 0.0 108.679 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.6 mt -76.17 -51.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.674 -0.641 . . . . 0.0 110.336 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ptm -51.86 -29.36 19.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.274 -0.891 . . . . 0.0 108.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.36 -12.0 59.64 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.671 -0.643 . . . . 0.0 110.295 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.76 153.17 27.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.609 -1.307 . . . . 0.0 109.815 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -65.41 152.76 43.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 0.0 109.572 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.83 4.63 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.7 mmt -91.36 150.1 40.77 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.249 -1.148 . . . . 0.0 109.384 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 31' ' ' SER . 47.5 Cg_endo -69.91 126.92 13.76 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.025 1.817 . . . . 0.0 112.026 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.82 30.81 0.63 Allowed Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 29' ' ' PRO . 24.0 m -129.79 123.52 31.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.617 -0.931 . . . . 0.0 108.535 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 t -51.61 -40.32 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 109.493 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.89 60.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.042 -1.036 . . . . 0.0 108.862 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.49 -38.85 35.78 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.15 -51.58 69.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -1.188 . . . . 0.0 108.753 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -56.66 -26.68 56.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.481 -0.762 . . . . 0.0 109.757 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.532 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.8 t80 -60.04 -73.23 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.646 HH21 HE22 ' A' ' 42' ' ' GLN . 7.5 ptm180 -54.81 -30.27 56.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.329 -0.857 . . . . 0.0 109.092 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.97 48.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.165 -0.96 . . . . 0.0 110.724 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 9.6 p30 -73.44 -38.43 65.52 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.143 -0.973 . . . . 0.0 109.935 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -69.2 -36.4 72.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.963 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.646 HE22 HH21 ' A' ' 38' ' ' ARG . 80.4 mt-30 -87.59 -24.66 23.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.6 51.93 3.9 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.531 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.5 m0 -67.56 144.9 55.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -1.106 . . . . 0.0 109.84 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.3 m -72.95 155.26 40.03 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -139.79 135.74 33.35 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.502 1.144 . . . . 0.0 112.176 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.4 123.9 51.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -74.43 125.8 29.34 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.521 -0.737 . . . . 0.0 111.232 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.448 ' NZ ' ' CD ' ' A' ' 59' ' ' GLU . 24.6 mtpp -70.39 -178.74 1.81 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.447 -0.783 . . . . 0.0 109.033 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -131.96 -60.27 0.92 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.11 -0.994 . . . . 0.0 111.454 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.21 1.47 49.16 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 121.283 -0.885 . . . . 0.0 112.81 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.6 t -91.05 128.25 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.388 -1.654 . . . . 0.0 110.43 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' A' ' 55' ' ' GLY . 30.4 mttp -53.66 -174.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.374 -0.829 . . . . 0.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.87 -31.19 0.24 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.23 -38.87 0.26 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.1 mtpp -62.5 -4.14 1.78 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.102 -1.234 . . . . 0.0 108.533 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -65.8 120.82 13.71 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.503 -0.748 . . . . 0.0 110.735 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.71 139.84 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.484 -0.76 . . . . 0.0 109.433 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.448 ' CD ' ' NZ ' ' A' ' 49' ' ' LYS . 23.3 mt-10 -92.7 173.64 7.67 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.244 -0.91 . . . . 0.0 108.647 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -128.28 149.86 50.31 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.435 -0.79 . . . . 0.0 108.947 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -75.65 118.56 18.61 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.279 -0.888 . . . . 0.0 110.778 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.437 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 77.2 t -64.21 -30.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 121.659 0.742 . . . . 0.0 109.399 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.81 -6.12 47.21 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.638 -0.664 . . . . 0.0 110.31 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.3 p -97.63 -8.61 28.51 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.531 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 18.7 mmt -73.82 150.37 88.39 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.78 -0.575 . . . . 0.0 109.657 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 79.9 Cg_exo -41.89 141.81 1.63 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.462 1.441 . . . . 0.0 110.89 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 17.3 m -43.47 -59.27 2.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.279 -0.888 . . . . 0.0 110.052 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -51.77 -47.68 64.04 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.289 -0.882 . . . . 0.0 109.334 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -58.32 -37.19 74.6 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.474 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -54.03 -47.28 71.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.883 -1.135 . . . . 0.0 109.744 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.22 -34.7 74.02 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.503 -0.748 . . . . 0.0 109.509 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.38 -50.91 68.04 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.977 -1.089 . . . . 0.0 108.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.65 -50.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.606 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.9 mt -55.36 -35.02 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.016 . . . . 0.0 109.205 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.04 -40.46 24.18 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.133 -0.979 . . . . 0.0 108.743 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.76 -35.4 80.47 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.76 -49.74 36.27 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.16 24.96 4.61 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.682 ' N ' HD12 ' A' ' 79' ' ' LEU . 7.6 mp . . . . . 0 N--CA 1.505 2.324 0 O-C-N 120.798 -1.413 . . . . 0.0 108.948 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.379 0.609 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.4 t -159.57 171.47 19.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.885 . . . . 0.0 109.409 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 16' ' ' TRP . 69.8 mt -143.29 161.85 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.548 ' N ' HG22 ' A' ' 15' ' ' ILE . 20.9 m95 -144.51 159.02 43.47 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.139 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.485 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 21.2 m -148.86 154.89 40.13 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.87 -1.144 . . . . 0.0 111.246 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -82.47 151.45 65.46 Favored Pre-proline 0 N--CA 1.489 1.477 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.027 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.04 -52.65 2.74 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.201 1.934 . . . . 0.0 112.85 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.422 ' CA ' HE21 ' A' ' 20' ' ' GLN . 0.0 OUTLIER -54.59 -30.99 56.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 111.04 -178.557 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -35.05 59.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.57 -1.331 . . . . 0.0 108.935 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 25' ' ' ALA . 67.9 mt -74.75 -60.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 110.221 -179.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -24.95 2.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -0.948 . . . . 0.0 109.033 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.97 -17.74 49.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -83.24 142.0 31.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.9 -1.125 . . . . 0.0 109.184 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.14 161.17 7.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.784 -1.198 . . . . 0.0 108.775 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.33 -19.81 7.96 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.457 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 29.1 mmt -92.0 148.54 37.12 Favored Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.155 -1.203 . . . . 0.0 109.682 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -35.94 -69.79 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.919 2.413 . . . . 0.0 113.46 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.27 4.01 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 108.856 -1.697 . . . . 0.0 108.856 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -144.58 136.36 25.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.415 -1.05 . . . . 0.0 108.277 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -47.71 -54.13 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.18 80.07 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.08 -1.012 . . . . 0.0 108.309 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.71 -38.7 73.6 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.734 -1.747 . . . . 0.0 108.734 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.04 -48.16 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.096 -1.238 . . . . 0.0 108.526 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.517 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 65.1 m-70 -62.69 -23.96 67.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.547 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 29.7 t80 -61.3 -74.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.341 -0.85 . . . . 0.0 109.051 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -55.62 -33.75 64.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -57.07 -49.55 75.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.947 -1.095 . . . . 0.0 110.84 -179.463 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.5 p30 -72.71 -42.57 64.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 109.524 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.3 -43.69 86.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.3 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.32 -43.09 11.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.422 -0.799 . . . . 0.0 109.707 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 94.63 58.5 1.19 Allowed Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -68.59 151.58 46.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.142 -1.211 . . . . 0.0 110.069 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -75.03 151.06 38.75 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.87 134.74 30.51 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 122.923 1.344 . . . . 0.0 112.606 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -99.34 126.04 45.12 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 47.2 tttp -74.94 124.23 26.54 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.314 -0.866 . . . . 0.0 111.151 -178.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 59' ' ' GLU . 24.8 mtpp -71.95 173.07 8.87 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.513 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -131.61 -56.39 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.25 -0.906 . . . . 0.0 110.529 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.4 -9.23 35.79 Favored Glycine 0 N--CA 1.496 2.666 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.135 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.61 129.81 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.511 -1.582 . . . . 0.0 110.243 -179.2 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 55' ' ' GLY . 41.0 mttp -51.23 -175.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.937 0.875 . . . . 0.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 64.26 -35.87 0.09 OUTLIER Glycine 0 N--CA 1.488 2.103 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 73.83 -27.2 0.93 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.5 mtpp -68.07 -10.76 56.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -1.147 . . . . 0.0 108.763 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.67 123.12 17.56 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.503 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.84 138.45 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.264 -0.897 . . . . 0.0 109.181 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 49' ' ' LYS . 43.2 mt-10 -92.27 167.98 11.64 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.184 -0.947 . . . . 0.0 108.594 179.227 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -119.16 147.42 44.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.5 -0.75 . . . . 0.0 108.996 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.27 120.09 21.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.396 -0.815 . . . . 0.0 110.989 -178.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 81.8 t -64.78 -29.77 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.335 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.7 mmt -74.08 -4.57 36.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.59 -0.694 . . . . 0.0 109.622 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.1 p -102.63 -6.26 22.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 mmt -71.54 152.7 93.81 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.646 -0.659 . . . . 0.0 109.537 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -44.42 142.81 4.2 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.515 1.476 . . . . 0.0 110.776 178.117 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -43.11 -60.93 1.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.311 -0.868 . . . . 0.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -52.85 -43.85 66.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -61.57 -35.24 77.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.888 -179.04 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -54.24 -59.66 4.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.07 -31.29 68.75 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -65.76 -53.41 40.84 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.636 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.53 -50.43 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.632 -0.667 . . . . 0.0 109.466 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mt -53.89 -29.16 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.17 -41.91 27.36 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -64.08 -38.0 89.48 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.445 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 77' ' ' LEU . 36.2 mt -72.21 -36.64 69.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.45 43.83 9.09 Favored Glycine 0 N--CA 1.485 1.94 0 N-CA-C 106.478 -2.649 . . . . 0.0 106.478 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.386 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.432 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 29.0 t -160.22 175.2 13.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.326 -0.859 . . . . 0.0 109.672 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.534 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 66.2 mt -143.33 161.64 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.534 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.3 m95 -145.06 160.13 41.87 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.323 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 43.4 m -147.17 160.94 41.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.954 -1.091 . . . . 0.0 110.871 -178.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -78.74 145.43 66.67 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.22 -50.82 4.23 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.696 1.597 . . . . 0.0 112.658 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.635 ' NE2' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -61.6 -25.03 67.08 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.387 -0.82 . . . . 0.0 111.185 -178.305 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -74.61 -36.19 62.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.51 -1.369 . . . . 0.0 108.88 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.0 mt -73.64 -55.27 12.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 O-C-N 121.741 -0.599 . . . . 0.0 110.212 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' PRO . 8.5 ptt? -54.27 -21.69 9.84 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.16 -18.0 50.93 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.11 27.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.136 -0.978 . . . . 0.0 109.898 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 28' ' ' MET . 22.2 m-20 -65.91 159.62 25.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.95 -1.093 . . . . 0.0 108.779 179.113 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -27.05 1.48 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.486 ' H ' ' C ' ' A' ' 26' ' ' ASP . 11.7 mmt -94.8 140.37 22.52 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.594 -0.944 . . . . 0.0 109.382 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 28' ' ' MET . 89.3 Cg_exo -44.79 179.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.899 1.733 . . . . 0.0 112.568 179.307 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.96 35.13 3.21 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -146.08 143.61 29.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.546 -0.973 . . . . 0.0 108.872 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.635 HG22 ' NE2' ' A' ' 20' ' ' GLN . 5.5 t -53.7 -50.16 52.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.221 -0.924 . . . . 0.0 109.43 -179.824 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.32 80.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.116 -0.99 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.35 -39.21 28.29 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.89 -53.87 36.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.247 -1.149 . . . . 0.0 108.166 179.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.522 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 60.4 m-70 -55.16 -22.98 19.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.242 -0.911 . . . . 0.0 109.259 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.54 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.0 t80 -63.09 -76.48 0.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.322 -0.861 . . . . 0.0 108.906 179.298 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.593 HH21 HE22 ' A' ' 42' ' ' GLN . 53.6 mtp180 -53.78 -36.05 61.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.61 -49.38 62.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.16 -0.963 . . . . 0.0 110.403 -178.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 12.7 p30 -74.98 -43.1 55.92 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.079 -1.013 . . . . 0.0 109.739 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.34 -41.67 91.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.339 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.593 HE22 HH21 ' A' ' 38' ' ' ARG . 71.4 mt-30 -87.18 -33.61 19.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.305 -0.872 . . . . 0.0 109.633 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 84.29 54.5 2.98 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.476 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.7 m0 -65.86 147.77 52.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -1.177 . . . . 0.0 109.799 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m -71.32 154.89 41.26 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 176.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -141.37 131.67 25.05 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.632 -1.293 . . . . 0.0 112.405 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.83 134.15 47.62 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.18 128.18 34.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.315 -0.866 . . . . 0.0 110.7 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 50' ' ' GLU . 67.2 tttt -99.03 147.97 24.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.419 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' VAL . 6.2 mm-40 -129.38 -40.22 1.45 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -178.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.29 -39.26 0.02 OUTLIER Glycine 0 N--CA 1.504 3.177 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' GLU . 60.3 t -93.83 140.57 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.373 -1.075 . . . . 0.0 108.868 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -172.94 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 108.381 179.561 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 87.12 -37.87 3.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.51 -27.16 0.47 Allowed Glycine 0 N--CA 1.491 2.35 0 O-C-N 121.092 -1.24 . . . . 0.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 54' ' ' GLY . 23.5 mtpp -70.22 -17.87 63.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.312 . . . . 0.0 109.357 -179.738 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.17 130.98 7.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.31 -0.869 . . . . 0.0 110.216 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 58' ' ' VAL . 7.4 p -146.36 126.84 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.905 . . . . 0.0 109.685 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -93.35 166.94 12.05 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.122 -0.986 . . . . 0.0 109.316 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -121.93 149.81 42.89 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD1' ' CE2' ' A' ' 16' ' ' TRP . 2.9 t70 -78.99 120.81 24.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 111.105 -177.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 53.8 t -64.61 -29.86 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.552 -0.717 . . . . 0.0 109.097 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.3 mmt -74.66 -7.22 52.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.52 -0.737 . . . . 0.0 110.486 -178.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.6 p -98.11 -7.31 29.84 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.476 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 23.1 mmt -73.14 151.3 90.25 Favored Pre-proline 0 N--CA 1.487 1.407 0 O-C-N 121.71 -0.619 . . . . 0.0 109.709 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.33 145.65 0.87 Allowed 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.577 1.518 . . . . 0.0 111.133 178.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.9 m -47.53 -57.57 5.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.985 -1.072 . . . . 0.0 109.358 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' OE2' ' A' ' 71' ' ' GLU . 63.4 mmtt -51.26 -46.2 62.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.203 -0.936 . . . . 0.0 109.002 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.94 -32.15 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.501 -0.75 . . . . 0.0 110.44 -178.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -56.98 -64.13 0.98 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.763 -1.211 . . . . 0.0 110.061 -179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 72' ' ' GLN . 2.4 pp20? -58.52 -27.28 64.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 108.357 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 9.0 tp-100 -66.65 -53.91 28.93 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.878 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.65 -49.03 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.519 -0.738 . . . . 0.0 109.84 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.425 HG23 ' HB2' ' A' ' 79' ' ' LEU . 68.7 mt -52.26 -39.83 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.909 -1.119 . . . . 0.0 108.224 179.705 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.58 -40.18 76.87 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.713 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.15 -38.69 91.98 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -71.02 -36.34 72.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.36 35.89 11.52 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.425 ' HB2' HG23 ' A' ' 74' ' ' ILE . 16.5 mt . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.963 . . . . 0.0 109.403 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 pttt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -160.95 175.94 11.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.099 -1.001 . . . . 0.0 110.215 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 16' ' ' TRP . 75.1 mt -140.39 163.34 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.06 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.613 ' CD1' ' NH2' ' A' ' 47' ' ' ARG . 13.1 m95 -148.39 156.92 43.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.765 -0.584 . . . . 0.0 109.543 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.5 m -150.98 157.14 42.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.176 -0.953 . . . . 0.0 111.104 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -80.17 156.21 74.27 Favored Pre-proline 0 C--N 1.304 -1.408 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.34 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.55 -38.22 83.47 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.973 1.782 . . . . 0.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.09 -35.65 71.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.065 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -75.09 -38.52 61.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.836 -1.165 . . . . 0.0 108.67 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.56 -57.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.767 -0.583 . . . . 0.0 110.343 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -50.44 -25.73 4.27 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.07 -12.34 60.01 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.62 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.7 165.8 24.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 109.483 -179.672 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.532 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -66.04 -82.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.271 -0.893 . . . . 0.0 111.599 -179.054 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.515 ' H ' ' HG2' ' A' ' 72' ' ' GLN . . . -49.98 -4.22 0.04 OUTLIER Glycine 0 N--CA 1.496 2.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.532 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.5 mmt -97.28 143.31 25.93 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.032 -1.275 . . . . 0.0 110.786 -179.088 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' MET . 71.6 Cg_exo -45.67 177.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 121.831 1.687 . . . . 0.0 112.017 178.447 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.95 30.65 5.42 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -146.78 140.84 26.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.313 -1.11 . . . . 0.0 109.173 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.2 t -55.88 -38.69 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.15 -0.969 . . . . 0.0 109.368 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.22 -43.03 71.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.781 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.16 -32.47 20.85 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -58.91 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.11 -1.229 . . . . 0.0 108.876 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -53.36 -27.11 21.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.493 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 31.6 t80 -57.61 -76.11 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.669 HH21 HE22 ' A' ' 42' ' ' GLN . 52.7 mtp180 -47.71 -47.99 29.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -0.907 . . . . 0.0 109.895 179.279 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.65 -32.05 49.96 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 111.153 -178.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 1.2 p30 -77.1 -48.6 17.33 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.772 -1.205 . . . . 0.0 109.328 -179.144 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' ASN . 2.7 p -76.94 -32.47 19.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.985 -178.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.669 HE22 HH21 ' A' ' 38' ' ' ARG . 53.6 mt-30 -85.14 -25.26 27.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.936 -1.103 . . . . 0.0 109.494 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.5 54.02 8.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -66.96 145.67 55.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -1.157 . . . . 0.0 110.053 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.3 m -72.68 146.69 46.34 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -140.31 133.3 29.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.769 -1.207 . . . . 0.0 112.403 -178.239 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.613 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 17.6 ttm180 -98.6 125.43 43.86 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.364 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -74.23 122.58 23.05 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.3 -0.875 . . . . 0.0 110.683 -178.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -71.15 170.01 13.87 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.309 -0.87 . . . . 0.0 108.782 178.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -132.28 -57.82 0.95 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.232 -0.917 . . . . 0.0 110.976 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.39 -8.26 24.23 Favored Glycine 0 N--CA 1.496 2.655 0 O-C-N 121.346 -0.846 . . . . 0.0 112.283 -177.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 53' ' ' LYS . 93.6 t -90.31 132.34 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.536 -1.567 . . . . 0.0 110.459 -179.268 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLY . 35.3 mttp -54.44 -167.49 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.295 -0.878 . . . . 0.0 109.868 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.37 -37.79 0.12 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.098 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 73.81 -33.11 0.88 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 54' ' ' GLY . 12.3 mttp -68.78 -13.38 62.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -1.092 . . . . 0.0 108.931 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.41 113.7 1.38 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 111.328 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' LYS . 30.2 m -133.46 136.32 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.8 169.42 10.16 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.851 -1.155 . . . . 0.0 108.893 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -122.32 146.87 46.91 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -78.1 112.24 14.84 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.24 -0.913 . . . . 0.0 111.049 -178.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.97 -27.79 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.57 -4.24 29.5 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.64 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.1 p -103.02 -18.66 14.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.25 -0.906 . . . . 0.0 109.298 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.48 159.21 85.68 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.029 . . . . 0.0 109.337 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -40.2 142.43 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.43 2.086 . . . . 0.0 112.024 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 m -47.81 -56.23 7.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.138 -0.976 . . . . 0.0 109.276 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -50.64 -45.22 57.67 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 108.91 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -64.3 -32.28 73.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.333 -0.854 . . . . 0.0 110.317 -179.109 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -54.81 -59.94 4.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.768 -1.207 . . . . 0.0 109.168 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.21 -29.17 69.66 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HG2' ' H ' ' A' ' 27' ' ' GLY . 41.9 tp60 -65.14 -55.44 18.68 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 108.844 179.193 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.07 -48.52 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.731 -0.606 . . . . 0.0 109.618 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 mt -55.25 -32.68 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.3 -42.45 54.66 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.74 -36.18 80.26 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -74.0 -38.9 63.96 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.66 34.49 10.15 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.403 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.498 1.935 0 O-C-N 121.316 -1.108 . . . . 0.0 109.073 179.883 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 tttp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -163.54 172.93 13.7 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.338 -0.851 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 16' ' ' TRP . 74.7 mt -143.23 161.3 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.538 ' N ' HG22 ' A' ' 15' ' ' ILE . 17.4 m95 -145.54 156.15 43.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 28.4 m -149.81 156.67 42.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.15 -0.969 . . . . 0.0 110.694 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 m -81.28 148.54 63.53 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.93 -47.06 4.95 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.921 1.747 . . . . 0.0 112.491 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.93 -33.48 67.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.785 -178.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.52 -39.25 62.49 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.781 -1.199 . . . . 0.0 108.827 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.64 -54.57 13.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.48 -0.762 . . . . 0.0 110.2 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -46.96 -27.67 1.36 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.237 -0.914 . . . . 0.0 109.404 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -9.28 59.79 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.733 -0.604 . . . . 0.0 110.23 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.45 147.71 28.58 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.784 -1.197 . . . . 0.0 109.73 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.14 153.57 33.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.282 -0.886 . . . . 0.0 108.986 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.83 52.1 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.422 ' HE1' ' OE1' ' A' ' 69' ' ' GLU . 21.4 mmt -91.73 148.38 37.07 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.071 -1.252 . . . . 0.0 110.419 -179.278 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.441 ' HD3' HH11 ' A' ' 38' ' ' ARG . 69.2 Cg_exo -37.76 -68.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 123.041 2.494 . . . . 0.0 113.17 179.462 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.5 17.73 2.59 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 5.8 p -146.38 142.11 27.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -1.044 . . . . 0.0 108.871 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.36 -52.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.991 -1.068 . . . . 0.0 109.059 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.62 88.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.166 -0.959 . . . . 0.0 108.844 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.509 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -50.74 -43.9 47.68 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 179.314 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.3 t -61.12 -49.84 83.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.041 -1.27 . . . . 0.0 108.078 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -56.66 -23.24 40.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 109.241 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 19.8 t80 -61.35 -77.24 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.342 -0.849 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 5.0 ptm180 -60.14 -30.46 69.31 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.748 -1.22 . . . . 0.0 110.656 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.76 43.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.745 -1.222 . . . . 0.0 111.627 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.533 ' OD1' ' O ' ' A' ' 37' ' ' TYR . 44.1 p-10 -73.58 -30.45 63.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.912 -1.117 . . . . 0.0 110.201 -178.709 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 73.2 t -76.07 -34.19 26.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.457 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.95 -35.22 19.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.214 -0.929 . . . . 0.0 109.797 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.78 51.22 1.69 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -66.57 141.61 57.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.443 -1.034 . . . . 0.0 109.485 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.2 m -74.22 115.13 13.37 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -105.22 136.94 43.81 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.274 1.035 . . . . 0.0 112.53 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -104.0 136.53 43.47 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -70.61 132.03 44.85 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.112 -0.993 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -108.44 145.05 35.22 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.244 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' VAL . 18.3 mt-10 -130.27 -41.59 1.24 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.294 -0.878 . . . . 0.0 110.396 -178.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.74 -35.34 0.02 OUTLIER Glycine 0 N--CA 1.503 3.13 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' GLU . 10.9 t -91.3 143.59 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.317 -1.107 . . . . 0.0 108.993 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 52' ' ' VAL . 34.3 mttp -52.19 -171.64 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.83 0.824 . . . . 0.0 110.643 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.34 -45.3 0.61 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.37 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.88 -22.81 2.75 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.523 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.0 mtpp -69.21 -11.22 60.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.353 -1.086 . . . . 0.0 108.851 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 137.86 58.19 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.657 0.742 . . . . 0.0 110.642 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -144.74 138.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -94.38 168.85 10.62 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.991 -1.068 . . . . 0.0 109.319 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -122.16 145.3 48.32 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -77.92 113.48 15.86 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.93 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 47.6 t -60.67 -22.31 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.452 -0.78 . . . . 0.0 109.14 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mmt -77.18 -2.2 33.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.423 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.35 -17.02 14.58 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.33 -0.856 . . . . 0.0 108.903 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 mtm -72.33 148.23 90.8 Favored Pre-proline 0 N--CA 1.487 1.376 0 O-C-N 121.067 -1.021 . . . . 0.0 109.445 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -36.5 138.8 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.279 0 C-N-CA 122.609 2.206 . . . . 0.0 112.121 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -42.38 -56.88 2.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.433 -0.792 . . . . 0.0 109.987 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -52.97 -48.14 67.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.274 -0.892 . . . . 0.0 109.193 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 47.4 mt-10 -58.56 -39.93 81.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.815 -179.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -53.07 -43.38 66.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 108.871 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -60.41 -41.84 94.74 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.779 -0.576 . . . . 0.0 109.68 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -64.33 -44.75 90.53 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.89 -179.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.7 t -70.41 -51.47 37.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.82 -41.53 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 0.0 108.892 179.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.16 -41.12 62.01 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.808 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -61.25 -37.31 82.65 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.07 -46.07 53.74 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.39 30.93 5.73 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 179.338 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.498 1.946 0 O-C-N 120.857 -1.378 . . . . 0.0 108.111 179.061 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -160.28 172.89 16.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.251 -0.905 . . . . 0.0 109.559 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 16' ' ' TRP . 65.3 mt -142.48 161.99 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.427 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.532 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.9 m95 -146.75 153.47 40.26 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.272 0.558 . . . . 0.0 109.498 -179.242 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 11.6 m -149.34 154.82 39.55 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.278 -0.889 . . . . 0.0 111.018 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 m -83.41 147.86 54.07 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -40.6 -42.21 3.96 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.113 1.875 . . . . 0.0 112.822 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -56.0 -35.71 67.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.366 -0.834 . . . . 0.0 110.271 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -77.98 -38.16 45.73 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.018 -1.051 . . . . 0.0 108.843 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.6 mt -75.38 -54.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.662 -0.649 . . . . 0.0 110.023 -179.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -52.62 -27.88 18.95 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.246 -0.909 . . . . 0.0 108.947 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.73 59.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.647 -0.658 . . . . 0.0 109.403 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.01 149.1 29.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.085 -1.01 . . . . 0.0 109.895 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.95 152.48 43.15 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.11 -0.994 . . . . 0.0 109.329 179.635 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.46 -27.17 3.75 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' PRO . 24.6 mmt -93.86 139.25 22.62 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.609 -0.936 . . . . 0.0 109.589 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.435 ' O ' ' O ' ' A' ' 28' ' ' MET . 85.8 Cg_exo -42.78 172.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.839 1.692 . . . . 0.0 112.109 178.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.7 35.89 3.9 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -147.24 142.37 27.15 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.406 -1.055 . . . . 0.0 109.128 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.05 -50.34 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.07 -1.019 . . . . 0.0 109.237 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.66 86.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.95 -1.093 . . . . 0.0 108.955 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -36.89 28.65 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.071 -1.611 . . . . 0.0 109.071 179.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -66.15 -56.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.122 -1.222 . . . . 0.0 108.528 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.533 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 78.6 m-70 -49.42 -28.29 5.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.165 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.526 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.2 t80 -59.61 -75.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.577 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -53.95 -31.73 51.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.38 -0.825 . . . . 0.0 109.795 179.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.9 -52.94 63.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 110.899 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 9.9 p30 -73.6 -42.58 61.34 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.165 -0.959 . . . . 0.0 109.882 -179.15 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.24 -42.67 80.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.605 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -88.77 -37.98 15.04 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.254 -0.904 . . . . 0.0 110.079 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.29 52.69 1.56 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.6 m0 -65.88 144.86 56.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -1.082 . . . . 0.0 110.063 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.2 m -73.34 147.01 44.81 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 177.021 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -139.1 130.53 27.06 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 122.546 1.165 . . . . 0.0 111.313 -178.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -101.07 118.81 37.74 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -70.88 116.89 11.71 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.397 -178.18 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 57' ' ' ALA . 20.2 tttt -94.48 149.5 21.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 52' ' ' VAL . 41.9 mt-10 -126.02 -41.01 1.97 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.252 -0.905 . . . . 0.0 110.166 -178.761 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.34 -35.94 0.01 OUTLIER Glycine 0 N--CA 1.502 3.07 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -178.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLU . 16.8 t -89.12 146.69 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.123 -1.222 . . . . 0.0 108.981 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' A' ' 55' ' ' GLY . 17.7 mttp -54.43 -171.43 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.824 0.821 . . . . 0.0 110.162 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.53 -32.84 0.46 Allowed Glycine 0 N--CA 1.482 1.736 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 70.15 -36.17 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 -179.573 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.1 mttt -61.5 -1.13 0.49 Allowed 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.247 -1.149 . . . . 0.0 108.884 179.648 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -61.38 110.69 1.51 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 110.874 -178.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 58' ' ' VAL . 10.8 m -140.04 126.76 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.318 -0.864 . . . . 0.0 108.818 178.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 26.3 mp0 -97.63 168.3 10.43 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.257 -0.902 . . . . 0.0 110.499 -179.163 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -112.96 148.5 34.9 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.638 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -78.28 120.96 23.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 111.068 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.21 -25.29 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 121.706 0.765 . . . . 0.0 109.109 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.3 mmt -74.8 -4.85 40.14 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.742 -0.599 . . . . 0.0 110.231 -178.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.44 -7.87 20.61 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.07 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.503 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 20.0 mmt -73.21 150.83 89.96 Favored Pre-proline 0 C--N 1.304 -1.406 0 O-C-N 121.462 -0.773 . . . . 0.0 110.073 -179.217 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.31 144.69 1.08 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 121.543 1.495 . . . . 0.0 110.885 177.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.443 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 61.4 m -47.4 -58.81 3.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.83 -1.169 . . . . 0.0 109.772 -179.64 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -50.18 -44.13 52.7 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 0.0 109.208 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.87 -36.07 82.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 0.0 110.285 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.443 ' HE ' ' HA ' ' A' ' 67' ' ' THR . 16.2 mtm180 -54.47 -57.54 10.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.925 -1.11 . . . . 0.0 109.865 -179.12 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.79 -38.07 86.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.73 -49.31 73.54 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.208 -0.997 . . . . 0.0 108.769 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.68 -51.67 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.499 -0.75 . . . . 0.0 109.04 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.8 mt -53.89 -31.24 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.49 -43.31 23.42 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.9 -38.24 87.64 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.65 -36.61 73.49 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.75 26.77 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.437 -1.037 . . . . 0.0 109.503 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 tttp . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.485 0.66 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 t -160.69 173.53 15.31 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.563 -0.711 . . . . 0.0 109.265 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.3 mt -142.18 162.47 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.3 m95 -147.49 154.06 40.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.759 -0.588 . . . . 0.0 109.657 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 37.2 m -151.45 158.3 43.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.745 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -81.35 144.36 53.52 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -39.71 -44.6 3.41 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.089 1.859 . . . . 0.0 112.738 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.41 -31.41 63.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.329 -0.857 . . . . 0.0 110.292 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.3 -40.49 51.42 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.826 -1.171 . . . . 0.0 108.825 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.32 -54.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 121.564 -0.71 . . . . 0.0 110.263 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -50.5 -27.33 6.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 0.0 109.2 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.34 -8.11 59.69 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 109.929 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.56 152.22 27.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.813 -1.18 . . . . 0.0 110.042 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.03 158.51 25.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.963 -1.086 . . . . 0.0 108.844 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . . . 78.54 -17.47 6.59 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.7 mmt -89.49 150.27 44.13 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 120.969 -1.312 . . . . 0.0 109.835 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -36.81 -65.67 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.885 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.17 18.01 4.33 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -145.88 145.56 30.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.45 -1.029 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.7 t -54.48 -48.03 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.125 -0.984 . . . . 0.0 109.202 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.77 87.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.156 -0.965 . . . . 0.0 109.171 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.27 -43.03 42.55 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.36 -51.45 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.023 -1.281 . . . . 0.0 108.517 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 45.3 m-70 -53.14 -28.71 27.23 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.288 -0.883 . . . . 0.0 109.2 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.51 -73.7 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.043 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 43.8 mtp180 -54.74 -36.51 64.87 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.506 -0.746 . . . . 0.0 109.899 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.72 -57.59 7.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.381 -0.824 . . . . 0.0 111.398 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.48 -36.4 65.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.923 -1.11 . . . . 0.0 109.559 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.1 t -70.43 -42.0 78.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.218 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.487 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 75.7 mt-30 -85.41 -23.3 27.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.138 -0.976 . . . . 0.0 109.972 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 49.63 5.12 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -66.61 143.34 57.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.273 -1.133 . . . . 0.0 109.78 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 m -73.86 154.51 39.43 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -143.55 133.58 24.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.74 -1.225 . . . . 0.0 112.613 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 3.4 tpp180 -98.39 112.09 24.22 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -71.09 118.69 14.2 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -77.86 165.28 24.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.5 mt-10 -131.28 -54.72 1.03 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.325 -0.86 . . . . 0.0 110.011 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.27 -16.44 0.17 Allowed Glycine 0 N--CA 1.492 2.381 0 O-C-N 121.503 -0.748 . . . . 0.0 111.246 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 45.6 t -88.07 137.26 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.701 -1.47 . . . . 0.0 110.268 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' A' ' 55' ' ' GLY . 37.3 mttp -50.12 169.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.988 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.59 -30.39 0.17 Allowed Glycine 0 N--CA 1.489 2.216 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.316 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 65.11 -10.02 0.42 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.57 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.1 mtpp -73.42 -18.15 61.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 108.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.22 124.17 19.81 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.527 -0.733 . . . . 0.0 110.589 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 56' ' ' LYS . 13.2 m -139.5 138.86 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -92.76 166.13 12.6 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.137 -0.977 . . . . 0.0 108.805 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -118.18 150.59 39.14 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.4 106.85 9.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.34 -0.85 . . . . 0.0 110.442 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.18 -26.28 38.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.6 mmm -74.51 -2.54 26.19 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.765 . . . . 0.0 108.978 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.0 p -108.16 -12.51 15.09 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.469 -0.769 . . . . 0.0 109.3 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -72.83 153.84 91.15 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.936 -1.102 . . . . 0.0 109.31 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' THR . 65.6 Cg_exo -39.26 136.97 0.86 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.198 1.932 . . . . 0.0 111.613 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PRO . 74.6 m -43.85 -54.35 5.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.488 -0.758 . . . . 0.0 109.724 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -53.22 -49.82 65.99 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.23 -0.919 . . . . 0.0 109.003 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 27' ' ' GLY . 39.5 mm-40 -57.97 -42.35 84.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.458 -0.776 . . . . 0.0 110.148 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -50.54 -45.63 56.97 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.047 -1.033 . . . . 0.0 109.605 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -60.91 -38.68 86.57 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.411 -0.806 . . . . 0.0 109.293 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -63.98 -44.83 91.52 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.241 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.7 t -71.35 -54.44 17.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.618 HG23 ' H ' ' A' ' 80' ' ' SER . 1.6 mp -54.5 -38.47 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.92 -1.112 . . . . 0.0 108.374 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.24 -41.87 60.61 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.102 -0.998 . . . . 0.0 108.692 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -63.01 -38.45 91.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -73.17 -37.58 66.5 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.73 38.82 8.5 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -95.49 -85.33 0.32 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.515 -0.991 . . . . 0.0 109.775 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.618 ' H ' HG23 ' A' ' 74' ' ' ILE . 4.9 p 61.55 -152.21 0.37 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.514 -0.741 . . . . 0.0 109.344 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.4 ' N ' ' OG ' ' A' ' 80' ' ' SER . 28.7 p . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.656 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.45 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.518 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.656 0 O4'-C1'-N19 110.413 3.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.575 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.655 3.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.575 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.639 1 O4'-C1'-N19 111.373 4.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.479 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.549 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.672 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.549 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.5 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.664 1 O4'-C1'-N19 111.146 4.183 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.55 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.093 1 O4'-C1'-N19 111.188 4.235 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.574 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.53 1 O4'-C1'-N19 111.602 4.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.574 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.692 3.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.523 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.638 1 O4'-C1'-N19 111.9 5.125 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.523 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.359 4.449 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.503 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.302 0 O4'-C1'-N19 110.846 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.473 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 111.413 4.517 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.69 3.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.674 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.781 0 C3'-C2'-C1' 106.888 2.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.674 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.986 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.442 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.543 1 O4'-C1'-N19 111.538 4.673 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.442 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.927 5.159 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.435 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.118 1 O4'-C1'-N19 111.138 4.173 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.564 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.093 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.564 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.275 4.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.453 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.96 3.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.879 1 O4'-C1'-N19 111.387 4.484 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.594 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.594 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.278 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.448 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.541 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.784 0 O4'-C1'-N19 110.568 3.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.541 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.453 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.693 1 O4'-C1'-N19 111.098 4.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 0 O4'-C1'-N19 110.724 3.655 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.228 0.537 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.8 t -160.15 173.36 15.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.249 -0.907 . . . . 0.0 109.54 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 16' ' ' TRP . 74.9 mt -141.13 160.91 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.515 ' N ' HG22 ' A' ' 15' ' ' ILE . 13.5 m95 -146.62 157.55 43.74 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.6 m -148.88 156.6 42.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.143 -0.973 . . . . 0.0 110.869 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 161.63 71.2 Favored Pre-proline 0 C--N 1.301 -1.524 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.6 -46.08 32.46 Favored 'Trans proline' 0 C--N 1.299 -2.067 0 C-N-CA 122.014 1.809 . . . . 0.0 111.534 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -60.31 -26.2 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 110.784 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.98 -40.13 47.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.759 -1.213 . . . . 0.0 109.47 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.9 mt -73.92 -50.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 121.512 -0.742 . . . . 0.0 110.332 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.78 -27.28 28.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 0.0 108.761 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.96 57.79 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.96 149.21 30.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.896 -1.127 . . . . 0.0 109.39 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.8 m-20 -65.04 156.14 32.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.764 -1.21 . . . . 0.0 108.69 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.86 -23.7 2.52 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 29' ' ' PRO . 13.8 mmt -94.03 143.76 26.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.263 -1.14 . . . . 0.0 109.835 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.5 Cg_exo -41.87 169.72 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 121.969 1.779 . . . . 0.0 112.24 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.2 28.83 6.42 Favored Glycine 0 N--CA 1.499 2.849 0 N-CA-C 108.606 -1.797 . . . . 0.0 108.606 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 p -145.23 133.7 21.93 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.525 -0.985 . . . . 0.0 108.785 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 32' ' ' VAL . 7.6 t -49.77 -46.61 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.036 -1.04 . . . . 0.0 109.197 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.13 -34.93 77.28 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.977 -1.077 . . . . 0.0 108.688 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -31.55 71.13 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.76 -51.62 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.39 -1.065 . . . . 0.0 108.906 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.546 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 91.7 m-70 -63.93 -19.99 65.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.264 -0.897 . . . . 0.0 109.54 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -62.05 -74.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.287 -0.883 . . . . 0.0 109.062 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.47 -38.26 68.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.073 -1.017 . . . . 0.0 109.945 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -52.59 -47.43 66.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.137 -0.977 . . . . 0.0 110.545 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 14.6 p30 -74.03 -46.58 42.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.174 -0.953 . . . . 0.0 109.544 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.1 t -64.47 -42.46 95.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.683 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 15.9 mt-30 -87.73 -28.21 21.89 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.299 -0.876 . . . . 0.0 110.0 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 79.3 60.35 2.54 Favored Glycine 0 N--CA 1.492 2.41 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.322 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.503 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 45.3 m0 -68.4 139.99 55.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.18 -1.188 . . . . 0.0 109.352 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.403 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 1.3 m -71.12 114.51 9.25 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -102.18 137.19 40.77 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 122.506 1.146 . . . . 0.0 113.98 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 6.0 ttm-85 -96.11 140.61 30.58 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 175.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -77.69 117.8 19.45 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.108 -0.995 . . . . 0.0 110.237 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' CB ' ' HZ2' ' A' ' 49' ' ' LYS . 5.3 ttpm? -96.97 145.9 25.48 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 52' ' ' VAL . 26.6 mt-10 -130.95 -42.87 1.09 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.24 -0.913 . . . . 0.0 110.768 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -33.78 -29.0 0.01 OUTLIER Glycine 0 N--CA 1.501 2.993 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 50' ' ' GLU . 72.5 t -89.81 124.07 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.167 -1.196 . . . . 0.0 109.598 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.01 121.97 12.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.115 -0.991 . . . . 0.0 108.569 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 153.98 -29.12 0.73 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.38 -34.62 0.55 Allowed Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.245 -1.15 . . . . 0.0 110.279 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.3 mtpp -73.49 -3.95 30.82 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.067 -1.255 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.93 123.92 20.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.857 . . . . 0.0 111.436 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.7 m -145.51 133.3 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -93.37 176.75 6.27 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.125 -0.984 . . . . 0.0 109.101 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -130.88 143.64 50.88 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.217 -0.927 . . . . 0.0 109.942 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 33.6 t0 -78.53 114.45 17.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.62 -0.675 . . . . 0.0 111.173 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 -24.83 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.431 -0.793 . . . . 0.0 109.079 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.25 -0.76 8.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 108.77 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 p -107.35 -9.41 16.04 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.648 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.84 152.37 96.05 Favored Pre-proline 0 C--N 1.307 -1.249 0 O-C-N 121.397 -0.815 . . . . 0.0 109.882 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -42.17 145.36 0.87 Allowed 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 121.747 1.631 . . . . 0.0 111.289 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -46.59 -59.85 2.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.172 -0.955 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -51.63 -44.89 63.08 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.328 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.77 -38.14 84.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.314 -0.866 . . . . 0.0 109.961 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -51.21 -63.01 1.27 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.912 -1.117 . . . . 0.0 109.406 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.84 -31.65 66.86 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -65.58 -53.36 43.03 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -70.93 -51.56 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mt -52.32 -28.61 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.027 -1.046 . . . . 0.0 108.188 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.89 -39.04 24.44 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 119.473 -0.891 . . . . 0.0 108.84 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -65.02 -36.76 85.42 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.89 -43.44 65.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 79' ' ' LEU . . . 105.96 23.29 7.49 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.593 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.7 mp -92.8 -20.25 20.92 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.125 -1.221 . . . . 0.0 108.284 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 p -45.43 153.27 0.24 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.83 -0.544 . . . . 0.0 109.715 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.438 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.537 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.72 0 C3'-C2'-C1' 107.082 3.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.424 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.046 4.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.456 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.483 3.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.458 H2'' " O5'" ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.458 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 O4'-C1'-N19 110.562 3.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.494 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.109 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.416 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.612 1 O4'-C1'-N19 111.092 4.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.574 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.91 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.574 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.919 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.466 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.482 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.866 1 O4'-C1'-N19 111.863 5.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.527 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.053 1 O4'-C1'-N19 111.742 4.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.429 0 O4'-C1'-N19 110.667 3.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.477 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.507 0 O4'-C1'-N19 110.768 3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.649 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 C3'-C2'-C1' 107.106 3.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.649 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.453 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 111.742 4.928 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.453 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.556 4.695 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 1 O4'-C1'-N19 111.335 4.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.691 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.407 4.508 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.691 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.642 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.424 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.845 0 O4'-C1'-N19 110.356 3.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.424 " O4'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.549 4.741 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.627 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.122 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.627 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.347 4.434 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.509 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.427 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.47 0 O4'-C1'-N19 110.478 3.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.482 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C1'-N19 110.943 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.482 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.911 1 O4'-C1'-N19 111.487 4.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 pttt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -160.52 179.93 8.19 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 109.66 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 16' ' ' TRP . 82.3 mt -140.68 162.38 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.561 ' N ' HG22 ' A' ' 15' ' ' ILE . 17.4 m95 -145.65 153.55 41.15 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.327 0.584 . . . . 0.0 109.492 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 54.5 m -146.76 154.92 41.96 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.401 -0.812 . . . . 0.0 110.316 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 m -80.87 149.43 67.13 Favored Pre-proline 0 N--CA 1.49 1.554 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -41.3 -44.89 5.73 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.853 1.702 . . . . 0.0 112.126 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.69 -33.94 68.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.536 -0.728 . . . . 0.0 110.754 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.54 -37.63 56.36 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.794 -1.191 . . . . 0.0 108.557 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ALA . 93.7 mt -75.78 -57.11 6.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.479 -0.763 . . . . 0.0 110.033 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.0 ptm -49.22 -26.73 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.933 -1.105 . . . . 0.0 108.736 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.17 -14.13 56.11 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.041 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -81.61 148.26 29.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.884 -1.135 . . . . 0.0 109.072 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.35 158.55 20.2 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.001 -1.062 . . . . 0.0 109.321 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 -15.94 14.58 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.3 mmt -92.43 149.92 39.11 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.131 -1.217 . . . . 0.0 110.403 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -36.99 -63.13 0.23 Allowed 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.706 2.271 . . . . 0.0 112.744 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.97 19.38 6.0 Favored Glycine 0 N--CA 1.499 2.88 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -145.72 142.64 29.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.334 -1.098 . . . . 0.0 109.074 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.18 -48.89 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.045 -1.034 . . . . 0.0 108.706 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.36 75.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.059 -1.026 . . . . 0.0 108.589 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.87 -38.68 46.49 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.553 -1.819 . . . . 0.0 108.553 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.05 -55.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.318 -1.107 . . . . 0.0 108.58 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.485 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 76.5 m-70 -53.31 -29.77 35.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.459 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.3 t80 -59.1 -76.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.434 -0.791 . . . . 0.0 108.943 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -53.63 -33.31 54.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.268 -0.895 . . . . 0.0 110.054 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -51.56 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.007 -1.058 . . . . 0.0 111.026 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.3 p30 -73.23 -41.81 63.32 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 109.995 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.67 -41.33 87.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.516 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -87.98 -39.11 14.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.439 -0.788 . . . . 0.0 109.836 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.22 52.99 1.53 Allowed Glycine 0 N--CA 1.497 2.712 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -66.46 147.16 53.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -1.13 . . . . 0.0 110.32 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -75.08 139.86 43.08 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -132.72 134.15 44.41 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 122.782 1.277 . . . . 0.0 111.556 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.03 118.82 35.48 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 10.4 ttpp -72.13 103.94 3.46 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' OE2' ' A' ' 50' ' ' GLU . 9.8 mtpp -78.81 155.66 29.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.069 -1.02 . . . . 0.0 109.075 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.3 mm-40 -131.15 -58.85 1.0 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.16 -16.82 0.04 OUTLIER Glycine 0 N--CA 1.495 2.617 0 O-C-N 121.515 -0.741 . . . . 0.0 111.269 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 5.6 t -87.67 141.39 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.794 -1.415 . . . . 0.0 109.94 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.45 169.9 0.12 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.638 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 84.8 -29.45 4.14 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 67.82 -44.22 0.29 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' GLY . 10.5 mttp -64.38 3.01 0.51 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.432 -1.04 . . . . 0.0 109.036 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -47.28 111.34 0.4 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 111.088 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 56' ' ' LYS . 50.4 t -135.6 110.45 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 1.4 mp0 -94.34 170.42 9.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.976 -1.077 . . . . 0.0 109.738 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.81 147.83 45.45 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 109.49 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -79.5 112.12 16.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.421 -0.8 . . . . 0.0 110.681 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.76 -27.75 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.377 -0.827 . . . . 0.0 108.907 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.2 mmm -73.64 -4.16 32.57 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.418 -0.801 . . . . 0.0 109.793 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 p -102.72 -11.57 18.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.954 . . . . 0.0 109.159 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtm -75.44 154.22 85.83 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.914 -1.116 . . . . 0.0 109.45 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' THR . 91.0 Cg_exo -41.0 138.38 1.66 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.816 1.677 . . . . 0.0 110.835 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' PRO . 4.4 m -41.29 -59.95 1.4 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.338 -0.851 . . . . 0.0 110.282 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.28 -52.52 35.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.101 -0.999 . . . . 0.0 108.636 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -60.59 -48.51 81.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.437 -0.789 . . . . 0.0 109.058 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -53.3 56.46 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.46 -33.64 76.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.858 -1.152 . . . . 0.0 108.713 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.37 -45.45 87.68 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.08 -53.39 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.446 -0.784 . . . . 0.0 108.908 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 78' ' ' GLY . 96.6 mt -53.13 -37.66 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.99 67.13 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -62.33 -37.76 86.87 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 79' ' ' LEU . 79.3 mt -72.82 -36.52 67.55 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 80.49 37.53 20.24 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 77' ' ' LEU . 3.8 mp -98.11 -89.13 0.3 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.653 -0.91 . . . . 0.0 108.722 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.454 ' H ' HG23 ' A' ' 74' ' ' ILE . 7.5 t 52.61 -156.89 0.15 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.676 -0.64 . . . . 0.0 109.504 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.379 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.682 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 O4'-C1'-N19 110.416 3.271 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.589 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.054 4.067 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.589 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 110.591 3.489 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.494 ' H71' " H2'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.693 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.477 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.743 0 O4'-C1'-N19 110.874 3.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.605 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.342 4.428 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.605 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 C3'-C2'-C1' 107.054 3.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.546 ' C2 ' ' N2 ' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.407 4.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-N19 111.702 4.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.62 4.776 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.541 ' C6 ' ' C6 ' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.918 1 O4'-C1'-N19 111.04 4.05 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.557 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.974 1 O4'-C1'-N19 112.371 5.713 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.557 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.054 1 O4'-C1'-N19 111.911 5.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.509 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.403 0 O4'-C1'-N19 110.772 3.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.61 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 C3'-C2'-C1' 107.158 3.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.61 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.926 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.53 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 112.046 5.308 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.53 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.077 1 O4'-C1'-N19 111.849 5.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.485 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.148 4.185 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.565 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.109 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.565 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.823 5.028 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.55 H2'' " O5'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.277 1 O4'-C1'-N19 111.558 4.698 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.55 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.653 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.653 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.177 1 O4'-C1'-N19 111.077 4.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.433 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.694 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.556 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.556 3.445 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.556 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.171 4.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 1 O4'-C1'-N19 111.25 4.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 0 O4'-C1'-N19 110.755 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.313 0.577 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.3 t -160.31 175.43 12.85 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.3 -0.875 . . . . 0.0 109.65 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.545 HG22 ' N ' ' A' ' 16' ' ' TRP . 70.7 mt -139.53 164.5 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.545 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.7 m95 -148.91 154.79 39.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.667 -0.646 . . . . 0.0 109.432 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -148.89 156.51 42.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.39 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.3 m -79.38 148.26 70.05 Favored Pre-proline 0 C--N 1.302 -1.469 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -40.8 -50.45 3.99 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.847 1.698 . . . . 0.0 112.423 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -57.52 -27.23 62.4 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.468 -0.77 . . . . 0.0 111.528 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -77.35 -41.2 41.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.669 -1.269 . . . . 0.0 109.764 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.4 mt -73.86 -50.98 26.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.351 -0.843 . . . . 0.0 110.054 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.14 29.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 0.0 108.759 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -15.16 57.57 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.818 -0.551 . . . . 0.0 109.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 148.23 32.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.83 -1.169 . . . . 0.0 109.802 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.29 151.73 42.98 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.046 -1.033 . . . . 0.0 108.871 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.53 -24.78 4.12 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' PRO . 13.3 mmt -94.46 145.2 29.25 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.345 -1.091 . . . . 0.0 109.678 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' MET . 80.5 Cg_exo -43.3 174.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.108 1.872 . . . . 0.0 112.556 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.24 34.71 3.58 Favored Glycine 0 N--CA 1.499 2.868 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.44 ' OG ' ' C7 ' ' B' ' 105' ' ' ' DT' . 36.4 t -146.7 144.54 29.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -1.041 . . . . 0.0 109.474 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.8 t -56.3 -51.2 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.046 -1.034 . . . . 0.0 108.367 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.53 ' HB3' ' H73' ' B' ' 105' ' ' ' DT' . . . -66.22 -29.38 69.62 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.65 64.15 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.76 -47.19 89.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -61.09 -25.82 67.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.502 -0.749 . . . . 0.0 109.253 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.529 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 32.3 t80 -61.98 -76.23 0.06 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.636 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 29.7 mtp180 -50.61 -43.26 56.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.332 -0.855 . . . . 0.0 109.792 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.93 -31.31 62.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 111.074 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 1.9 p30 -76.81 -49.22 16.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 120.949 -1.094 . . . . 0.0 109.374 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.538 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.5 p -77.04 -32.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.025 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.636 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 51.4 mt-30 -85.6 -26.1 26.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.002 -1.061 . . . . 0.0 109.163 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.9 54.95 6.12 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -66.59 143.02 57.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.099 -1.236 . . . . 0.0 109.5 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 m -71.59 152.16 43.16 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -141.98 132.72 25.61 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.715 1.245 . . . . 0.0 112.748 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.92 136.04 38.05 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -72.34 125.19 26.76 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 121.273 -0.892 . . . . 0.0 110.924 -178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -97.62 141.73 30.3 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.5 mt-10 -130.13 -47.53 1.11 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.186 -0.946 . . . . 0.0 110.398 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -36.88 -27.29 0.01 OUTLIER Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 22.7 t -89.89 144.96 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.139 -1.212 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 55' ' ' GLY . 50.1 mttt -49.77 -179.5 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.342 -0.849 . . . . 0.0 109.734 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.33 -36.87 0.12 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.56 -34.36 0.27 Allowed Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.956 -1.32 . . . . 0.0 109.94 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 54' ' ' GLY . 18.4 mtpp -56.22 -8.23 0.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.017 -1.284 . . . . 0.0 108.365 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.84 135.68 57.85 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.54 0.686 . . . . 0.0 110.595 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 58' ' ' VAL . 29.4 m -143.33 133.94 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -89.63 167.76 12.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.074 -1.016 . . . . 0.0 108.606 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -122.04 148.37 44.92 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -81.69 114.97 20.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.0 111.38 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.8 -26.11 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmm -70.6 0.36 7.02 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.302 -0.874 . . . . 0.0 108.681 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.4 p -105.35 -12.6 15.97 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.64 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.7 152.93 96.44 Favored Pre-proline 0 N--CA 1.484 1.257 0 O-C-N 121.259 -0.901 . . . . 0.0 109.614 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 74.6 Cg_exo -40.89 136.31 2.07 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.693 1.595 . . . . 0.0 110.908 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 60.4 m -42.42 -56.89 2.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.187 -0.946 . . . . 0.0 110.107 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -52.34 -46.08 65.93 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 108.986 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -62.48 -34.39 76.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.352 -0.843 . . . . 0.0 110.834 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -53.03 -55.44 23.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.906 -1.121 . . . . 0.0 109.508 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.12 -34.56 75.17 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -65.14 -50.49 65.81 Favored 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.649 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.52 -51.29 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.671 -0.643 . . . . 0.0 109.339 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' GLY . 61.4 mt -53.82 -31.14 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 120.978 -1.076 . . . . 0.0 108.25 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.37 -39.38 39.43 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.865 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -62.52 -39.47 93.65 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.8 mt -72.74 -37.28 67.77 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 78.34 40.09 20.61 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 80' ' ' SER . 16.9 mt -99.37 -91.27 0.29 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.55 -0.971 . . . . 0.0 109.155 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.554 ' OG ' ' N ' ' A' ' 81' ' ' THR . 1.0 OUTLIER 164.4 -177.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.694 -0.629 . . . . 0.0 109.419 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.554 ' N ' ' OG ' ' A' ' 80' ' ' SER . 44.1 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.313 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.564 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.498 3.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.636 " H2'" ' H72' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.636 ' H72' " H2'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.712 0 C3'-C2'-C1' 107.356 3.326 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.56 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.078 4.098 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.567 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.569 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.699 3.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.569 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.979 3.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.46 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.719 1 O4'-C1'-N19 111.369 4.462 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.515 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.187 4.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.515 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.755 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.647 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.453 4.566 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.647 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.606 4.757 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.434 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.214 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.588 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.015 4.018 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.588 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.56 3.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.643 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 C3'-C2'-C1' 107.298 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.643 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.164 0 O4'-C1'-N19 110.774 3.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.54 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.776 1 O4'-C1'-N19 111.704 4.88 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.54 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.211 1 O4'-C1'-N19 111.648 4.81 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.897 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.659 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.006 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.659 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.847 1 O4'-C1'-N19 111.407 4.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.194 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.418 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.622 1 O4'-C1'-N19 111.064 4.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.58 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.452 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.58 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.012 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.501 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.994 3.993 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.025 4.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.5 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -160.21 173.08 16.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.093 -1.004 . . . . 0.0 109.517 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 16' ' ' TRP . 75.7 mt -142.32 162.32 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.536 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.4 m95 -145.92 152.74 39.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.403 0.62 . . . . 0.0 109.67 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.9 m -148.8 153.62 38.38 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.302 -0.874 . . . . 0.0 110.54 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.46 160.15 70.7 Favored Pre-proline 0 C--N 1.303 -1.431 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.32 -31.24 84.05 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.019 1.813 . . . . 0.0 110.761 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.21 -38.56 89.64 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.646 -0.659 . . . . 0.0 110.05 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 mp0 -76.38 -37.44 57.17 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.037 -1.039 . . . . 0.0 109.035 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' ALA . 66.5 mt -74.0 -55.65 11.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 110.048 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -27.83 7.12 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 108.542 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -16.86 52.42 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.7 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.2 153.0 30.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.015 -1.053 . . . . 0.0 109.194 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 28' ' ' MET . 73.3 m-20 -66.04 158.03 29.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.854 -1.154 . . . . 0.0 109.446 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.9 -24.67 2.32 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.471 ' H ' ' C ' ' A' ' 26' ' ' ASP . 22.9 mmt -95.03 134.17 25.15 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.634 -0.921 . . . . 0.0 109.996 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.1 Cg_exo -44.13 176.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.655 1.57 . . . . 0.0 112.095 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.17 36.78 3.49 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 108.701 -1.76 . . . . 0.0 108.701 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -143.61 131.5 21.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.517 -0.99 . . . . 0.0 108.939 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 32' ' ' VAL . 14.5 t -51.61 -37.64 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.959 . . . . 0.0 109.245 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.418 ' HB3' ' H73' ' B' ' 105' ' ' ' DT' . . . -73.66 -39.09 64.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 109.174 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.89 -39.95 41.19 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.936 -1.665 . . . . 0.0 108.936 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.57 -55.87 19.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.314 -1.109 . . . . 0.0 108.566 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.564 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 91.2 m-70 -52.57 -26.76 14.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.438 -0.789 . . . . 0.0 109.529 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.527 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.2 t80 -60.08 -76.53 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -57.22 -30.4 64.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.143 -0.973 . . . . 0.0 110.233 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.28 -50.92 71.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.998 -1.063 . . . . 0.0 110.577 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.0 p30 -73.74 -40.75 63.29 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.212 -0.93 . . . . 0.0 109.797 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.95 -36.52 77.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.368 -0.832 . . . . 0.0 109.704 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -85.25 -39.67 17.49 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.301 -0.874 . . . . 0.0 109.691 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.73 50.75 1.62 Allowed Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.234 -1.547 . . . . 0.0 109.234 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -67.97 142.69 55.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -1.075 . . . . 0.0 109.993 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 m -72.48 148.73 44.81 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 176.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD2' ' H ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -141.96 136.31 30.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.72 -1.237 . . . . 0.0 112.941 -178.092 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' NH2' ' NE1' ' A' ' 16' ' ' TRP . 9.1 tpp180 -90.14 105.99 18.18 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -68.74 113.73 6.46 Favored 'General case' 0 C--N 1.291 -1.967 0 O-C-N 121.358 -0.839 . . . . 0.0 109.943 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' CD ' ' OE1' ' A' ' 59' ' ' GLU . 18.7 mtpp -87.66 150.77 23.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.255 -0.903 . . . . 0.0 109.293 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.6 mt-10 -131.33 -54.05 1.03 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.385 -0.822 . . . . 0.0 110.319 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.42 -8.5 0.04 OUTLIER Glycine 0 N--CA 1.495 2.624 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 50' ' ' GLU . 20.6 t -88.1 149.97 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.931 -1.334 . . . . 0.0 109.99 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -52.78 142.08 19.77 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . 56.79 69.23 1.34 Allowed Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.641 -2.184 . . . . 0.0 107.641 -178.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . -42.76 -10.53 0.01 OUTLIER Glycine 0 N--CA 1.494 2.521 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 54' ' ' GLY . 18.3 mttp -52.91 -10.64 0.18 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.71 -1.465 . . . . 0.0 108.238 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -60.29 131.19 50.01 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.689 0.757 . . . . 0.0 111.12 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 58' ' ' VAL . 6.4 m -143.05 128.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -92.22 164.98 13.35 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.347 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -115.78 146.67 41.74 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.53 -0.731 . . . . 0.0 109.625 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.44 112.75 15.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.57 -0.706 . . . . 0.0 110.509 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -25.81 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.361 -0.837 . . . . 0.0 108.749 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.9 mmt -72.58 -4.64 31.97 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.353 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.5 p -104.37 -13.71 16.01 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtt -71.75 156.59 90.98 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.49 142.61 0.64 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.201 1.934 . . . . 0.0 111.842 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 m -45.73 -59.79 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.146 -0.972 . . . . 0.0 109.928 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -50.43 -44.7 55.39 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.226 -0.921 . . . . 0.0 109.227 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.55 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.35 -34.38 76.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.385 -0.822 . . . . 0.0 110.236 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -54.26 -61.14 2.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.869 -1.144 . . . . 0.0 109.777 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.84 -31.42 70.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.129 -0.982 . . . . 0.0 108.867 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -65.15 -52.13 57.02 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.167 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.69 -49.9 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' A' ' 79' ' ' LEU . 73.2 mt -53.61 -37.06 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.62 66.49 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -65.07 -35.56 81.53 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.24 -40.74 74.29 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' HD12 ' A' ' 79' ' ' LEU . . . 104.02 23.89 7.92 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.5 mp -92.23 -26.36 18.21 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.109 -1.23 . . . . 0.0 108.709 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.2 p -55.3 -172.26 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.535 -0.728 . . . . 0.0 109.285 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.547 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.458 3.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 1 O4'-C1'-N19 111.042 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.512 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 C3'-C2'-C1' 107.205 3.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.542 H2'' " O5'" ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.017 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.542 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.935 3.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.526 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.06 4.075 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.526 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.104 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.446 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.574 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.639 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.37 1 O4'-C1'-N19 111.828 5.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.639 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.051 4.064 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.434 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 112.116 5.395 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.461 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.186 1 O4'-C1'-N19 111.504 4.631 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.56 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.539 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.56 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.53 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.971 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.652 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.724 0 C3'-C2'-C1' 106.934 3.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.652 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.113 4.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.451 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-N19 111.923 5.154 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.451 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.954 1 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.532 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.532 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.835 5.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.432 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O4'-C1'-N19 110.909 3.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.5 1 O4'-C1'-N19 111.712 4.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.653 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.988 3.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.653 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.566 4.707 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.607 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.838 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.607 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C1'-N19 110.642 3.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.469 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.104 0 O4'-C1'-N19 110.695 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.469 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.74 1 O4'-C1'-N19 111.649 4.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 pttt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.521 ' C ' HD12 ' A' ' 15' ' ' ILE . 28.3 t -159.16 174.74 14.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.982 -1.074 . . . . 0.0 109.67 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.0 mp -143.3 160.59 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.823 0.82 . . . . 0.0 109.297 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.576 ' N ' HG22 ' A' ' 15' ' ' ILE . 16.8 m95 -142.72 155.55 44.89 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.0 m -150.89 158.03 43.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.183 -0.948 . . . . 0.0 110.987 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 146.71 56.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -40.78 -39.35 3.09 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.046 1.831 . . . . 0.0 113.132 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -56.32 -37.76 70.37 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.293 -0.88 . . . . 0.0 111.024 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.46 -35.58 63.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.752 -1.218 . . . . 0.0 108.945 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.59 -50.1 24.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 O-C-N 121.664 -0.647 . . . . 0.0 110.384 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -53.17 -28.07 24.55 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.13 -0.981 . . . . 0.0 109.057 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.66 -14.04 57.15 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.59 150.33 31.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.938 -1.101 . . . . 0.0 109.913 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 28' ' ' MET . 1.9 m-20 -65.92 157.87 29.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.906 -1.121 . . . . 0.0 108.785 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.52 -25.94 1.65 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 108.839 -1.704 . . . . 0.0 108.839 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.5 ' H ' ' C ' ' A' ' 26' ' ' ASP . 23.4 mmt -95.34 137.92 22.0 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.592 -0.946 . . . . 0.0 109.449 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 28' ' ' MET . 91.8 Cg_exo -40.48 168.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 122.051 1.834 . . . . 0.0 112.495 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.51 29.54 7.82 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.11 139.59 28.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.681 -0.893 . . . . 0.0 108.687 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.0 t -55.08 -46.22 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.9 . . . . 0.0 109.894 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.69 84.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.044 -1.035 . . . . 0.0 109.609 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.1 -36.0 20.33 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.02 -58.94 5.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.175 -1.191 . . . . 0.0 108.826 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.502 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 90.2 m-70 -50.53 -21.5 1.54 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.0 109.431 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 12.2 t80 -63.02 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.45 -0.781 . . . . 0.0 109.054 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HE ' ' NE2' ' A' ' 42' ' ' GLN . 8.5 ptm180 -57.34 -28.5 63.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.133 -0.979 . . . . 0.0 110.138 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.3 72.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.927 -1.108 . . . . 0.0 110.583 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.7 p30 -73.41 -39.89 64.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.113 -0.992 . . . . 0.0 109.667 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.01 -37.53 79.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.825 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.51 ' NE2' ' HE ' ' A' ' 38' ' ' ARG . 33.8 mt-30 -86.04 -29.06 23.73 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.185 -0.947 . . . . 0.0 109.511 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.34 54.89 2.86 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 40.1 m0 -66.91 143.01 57.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -1.168 . . . . 0.0 109.399 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.8 m -73.16 117.06 14.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -104.99 137.93 41.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.211 1.005 . . . . 0.0 112.515 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -111.52 138.73 47.66 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -72.27 132.42 44.03 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.259 -0.9 . . . . 0.0 110.362 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -109.71 150.26 28.55 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.5 mt-10 -130.49 -43.35 1.14 Allowed 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.177 -0.952 . . . . 0.0 110.896 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.51 -35.92 0.02 OUTLIER Glycine 0 N--CA 1.502 3.055 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' GLU . 48.7 t -92.14 144.48 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.191 -1.182 . . . . 0.0 110.156 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.9 mttm -53.75 -166.27 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.834 0.826 . . . . 0.0 110.287 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.09 -29.28 0.19 Allowed Glycine 0 N--CA 1.488 2.128 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 66.99 -34.09 0.19 Allowed Glycine 0 N--CA 1.492 2.379 0 O-C-N 120.8 -1.412 . . . . 0.0 110.052 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.3 mtpp -62.04 -8.58 5.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.033 -1.275 . . . . 0.0 109.087 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.76 129.67 23.4 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 0.0 110.485 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 58' ' ' VAL . 9.8 p -144.78 127.97 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.66 165.39 12.34 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.926 -1.109 . . . . 0.0 109.985 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -118.52 146.84 44.23 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -77.15 119.2 20.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.284 -0.885 . . . . 0.0 111.069 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.56 -28.88 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.548 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -74.62 -6.23 47.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.8 -0.563 . . . . 0.0 110.095 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.8 p -100.52 -6.54 25.29 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.488 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.8 mmt -72.44 150.24 91.49 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.661 -0.65 . . . . 0.0 109.872 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 143.31 0.77 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.524 1.482 . . . . 0.0 110.876 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -44.75 -60.57 1.96 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.057 -1.027 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -52.04 -43.69 63.89 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.312 -0.867 . . . . 0.0 109.44 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -60.71 -36.67 79.39 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.269 -0.894 . . . . 0.0 110.002 -179.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -52.62 -62.24 1.77 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.936 -1.102 . . . . 0.0 109.748 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -57.98 -32.95 68.38 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.22 -52.45 47.79 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.647 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.87 -48.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.738 -0.601 . . . . 0.0 109.952 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.0 -35.99 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.963 -1.085 . . . . 0.0 108.406 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.56 -40.63 49.18 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.427 -0.909 . . . . 0.0 109.165 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.18 -38.88 90.77 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.9 mt -72.6 -46.37 54.51 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.81 37.72 4.1 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.032 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 79' ' ' LEU . 4.2 mm? -86.3 -55.35 3.95 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.584 -1.539 . . . . 0.0 108.409 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.4 p -70.73 -158.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.415 -0.803 . . . . 0.0 109.082 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 81' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.275 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.623 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.67 0 C3'-C2'-C1' 106.951 3.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.481 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.672 0 O4'-C1'-N19 110.853 3.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.524 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.801 0 C3'-C2'-C1' 107.224 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.524 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.942 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.538 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.542 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.538 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.539 1 O4'-C1'-N19 111.102 4.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.528 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.129 0 O4'-C1'-N19 110.499 3.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.487 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.614 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.625 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.258 1 O4'-C1'-N19 111.495 4.619 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.625 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.574 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.201 4.251 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.574 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.159 1 O4'-C1'-N19 111.687 4.859 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.584 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.4 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.584 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.231 4.289 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.415 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.678 3.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.679 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 C3'-C2'-C1' 106.778 2.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.679 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.758 3.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.492 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.492 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.324 4.406 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.655 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.055 0 O4'-C1'-N19 110.74 3.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.655 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.806 1 O4'-C1'-N19 111.095 4.118 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.457 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.401 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.446 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.711 3.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.634 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.634 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.391 4.489 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.465 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.486 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.54 3.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.507 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.425 3.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.507 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.258 4.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.552 3.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 17.2 t -160.85 -178.84 7.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.0 mp -140.61 160.35 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.39 -0.819 . . . . 0.0 109.365 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.582 ' N ' HG22 ' A' ' 15' ' ' ILE . 22.9 m95 -143.22 151.2 40.33 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.9 m -152.51 156.51 39.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.317 -0.864 . . . . 0.0 111.111 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.18 163.65 56.34 Favored Pre-proline 0 C--N 1.303 -1.444 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.42 -31.3 94.57 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 121.999 1.799 . . . . 0.0 111.402 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.72 -38.61 78.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 109.901 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -77.3 -38.0 51.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.038 -1.039 . . . . 0.0 108.827 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.3 mt -74.41 -56.14 9.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.605 -0.684 . . . . 0.0 109.557 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.451 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -52.13 -24.22 6.65 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.33 -13.47 59.62 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.811 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.52 162.76 27.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 109.693 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 28' ' ' MET . 62.1 m-20 -63.94 -80.62 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.303 -0.873 . . . . 0.0 112.255 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.72 -6.42 0.04 OUTLIER Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' ASP . 14.2 mmt -97.11 153.04 38.62 Favored Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.258 . . . . 0.0 110.187 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' MET . 22.3 Cg_endo -61.69 173.25 2.99 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.187 1.925 . . . . 0.0 111.57 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.75 36.13 3.89 Favored Glycine 0 N--CA 1.499 2.899 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -144.21 129.65 18.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.486 -1.008 . . . . 0.0 108.724 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 t -51.77 -31.78 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.135 -0.978 . . . . 0.0 109.17 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.72 -40.31 41.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.248 -0.907 . . . . 0.0 109.159 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.27 -44.67 52.33 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.24 -55.43 24.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.149 -1.206 . . . . 0.0 108.352 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.418 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 76.5 m-70 -49.99 -25.08 2.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.345 -0.847 . . . . 0.0 109.301 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 13.8 t80 -61.65 -77.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 0.0 109.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -58.4 -27.83 64.63 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.237 -0.914 . . . . 0.0 109.673 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.11 -54.03 35.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.801 -1.187 . . . . 0.0 110.115 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.8 p30 -75.4 -38.54 59.85 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.225 -0.922 . . . . 0.0 110.213 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -71.58 -36.32 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 119.019 -1.072 . . . . 0.0 110.244 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -82.92 -26.04 31.85 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.907 -1.121 . . . . 0.0 110.0 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.92 51.74 3.5 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -68.23 144.11 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.377 -1.072 . . . . 0.0 109.716 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -75.05 127.03 32.28 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CB ' ' NZ ' ' A' ' 46' ' ' LYS . 9.7 mtpm? -104.26 152.93 21.62 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 122.919 1.342 . . . . 0.0 112.573 -177.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -139.5 123.44 17.69 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -71.17 138.69 49.79 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.358 -176.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -112.05 153.16 27.29 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 52' ' ' VAL . 37.7 mm-40 -130.64 -44.06 1.1 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -34.23 -29.07 0.01 OUTLIER Glycine 0 N--CA 1.5 2.905 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 50' ' ' GLU . 88.4 t -88.94 124.41 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.1 -1.235 . . . . 0.0 109.81 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 121.75 11.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.381 -0.824 . . . . 0.0 108.941 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 152.65 -28.7 0.84 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.51 -33.68 0.57 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.9 mtpp -80.15 1.66 27.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.138 -1.213 . . . . 0.0 109.749 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.75 122.3 18.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.226 -0.921 . . . . 0.0 111.185 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.41 136.81 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.452 -0.78 . . . . 0.0 108.937 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -98.78 172.56 7.37 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.086 -1.009 . . . . 0.0 109.681 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -127.06 151.47 48.58 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' SD ' ' A' ' 65' ' ' MET . 51.9 t0 -77.51 114.44 16.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.159 -0.963 . . . . 0.0 111.279 -178.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.5 t -63.26 -27.01 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.054 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mmt -70.6 -2.1 13.22 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 0.0 109.009 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 82.4 p -104.96 -11.63 16.58 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.643 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.33 147.43 98.22 Favored Pre-proline 0 C--N 1.307 -1.243 0 O-C-N 121.433 -0.792 . . . . 0.0 109.376 -179.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' THR . 89.0 Cg_exo -42.66 141.58 2.35 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.583 1.522 . . . . 0.0 111.178 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PRO . 94.1 m -40.07 -62.97 0.66 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.478 -0.764 . . . . 0.0 110.472 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -51.18 -46.99 62.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 109.494 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -59.28 -36.74 76.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 0.0 110.299 -178.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -53.93 -46.83 71.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.799 -1.188 . . . . 0.0 109.18 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -59.77 -37.34 78.78 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -64.04 -47.63 79.43 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.199 -1.0 . . . . 0.0 108.429 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.65 -52.04 31.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.583 HG23 ' H ' ' A' ' 80' ' ' SER . 22.4 mt -55.46 -39.32 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.177 -0.952 . . . . 0.0 108.911 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.75 -41.59 59.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.113 -0.992 . . . . 0.0 108.53 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -61.5 -36.43 80.48 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.44 -45.31 55.18 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.61 29.93 5.74 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.6 mp -90.77 -83.96 0.25 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.784 -1.421 . . . . 0.0 108.609 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.583 ' H ' HG23 ' A' ' 74' ' ' ILE . 11.7 p 56.37 -179.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.512 -0.743 . . . . 0.0 109.578 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.493 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.438 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.732 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.519 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.186 4.233 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.519 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.821 3.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.442 ' H71' " H2'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.298 0 C3'-C2'-C1' 107.073 3.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.543 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.369 4.461 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.551 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.101 0 O4'-C1'-N19 110.808 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.551 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.532 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.231 4.288 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.547 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.52 4.649 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.547 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.029 4.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.534 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.763 1 O4'-C1'-N19 111.971 5.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.534 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.644 4.805 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.533 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.181 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.414 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.547 1 O4'-C1'-N19 111.009 4.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.005 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.647 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.647 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.222 4.278 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.419 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.855 5.069 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.432 H2'' " O5'" ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.343 1 O4'-C1'-N19 111.662 4.828 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.432 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.334 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.494 ' N4 ' ' C5 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.756 0 O4'-C1'-N19 110.662 3.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 1 O4'-C1'-N19 111.756 4.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.608 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.562 0 O4'-C1'-N19 110.759 3.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.608 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.14 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.22 0 O4'-C1'-N19 110.323 3.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.593 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.593 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.507 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.422 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.448 4.56 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.443 ' C ' HD12 ' A' ' 15' ' ' ILE . 28.0 t -159.69 177.26 11.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.088 -1.008 . . . . 0.0 109.794 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.57 HG22 ' N ' ' A' ' 16' ' ' TRP . 5.2 mp -142.14 159.42 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.932 0.872 . . . . 0.0 109.162 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.57 ' N ' HG22 ' A' ' 15' ' ' ILE . 9.4 m95 -141.07 155.19 46.18 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.423 0.63 . . . . 0.0 109.725 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 17.3 m -150.23 156.63 41.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.371 -0.83 . . . . 0.0 110.566 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.34 165.3 51.12 Favored Pre-proline 0 C--N 1.303 -1.414 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.51 -32.93 94.21 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 121.968 1.778 . . . . 0.0 111.436 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.65 -37.21 78.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 110.394 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -78.11 -37.82 45.39 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.974 -1.079 . . . . 0.0 109.271 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.38 -52.78 20.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 121.573 -0.705 . . . . 0.0 109.527 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -27.02 17.65 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.99 0.9 . . . . 0.0 108.748 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.49 -14.27 58.4 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.827 -0.546 . . . . 0.0 110.206 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.94 154.26 31.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.911 -1.118 . . . . 0.0 110.03 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 28' ' ' MET . 6.4 m-20 -67.95 151.81 46.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.11 -23.01 2.27 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.461 ' H ' ' C ' ' A' ' 26' ' ' ASP . 9.0 mmt -92.16 138.76 24.29 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.35 -1.088 . . . . 0.0 109.258 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' MET . 84.7 Cg_exo -41.41 169.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.055 1.837 . . . . 0.0 112.322 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.16 36.31 3.47 Favored Glycine 0 N--CA 1.5 2.935 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.7 m -146.21 134.11 21.33 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.39 -1.065 . . . . 0.0 109.356 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -53.54 -43.07 52.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.175 -0.953 . . . . 0.0 108.959 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.73 -28.68 62.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.215 -0.928 . . . . 0.0 108.703 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.16 92.33 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.89 -57.07 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -1.104 . . . . 0.0 108.849 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.52 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 66.2 m-70 -47.27 -32.62 4.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.434 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.02 -74.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.331 -0.855 . . . . 0.0 108.973 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -51.69 -31.53 26.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 109.613 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -57.27 13.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.243 -0.91 . . . . 0.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.09 -38.34 66.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.993 . . . . 0.0 109.678 -178.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.83 -45.47 91.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 C-N-CA 119.107 -1.037 . . . . 0.0 109.479 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -86.37 -34.27 20.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.306 -0.871 . . . . 0.0 109.893 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.92 55.61 1.6 Allowed Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -67.31 145.43 55.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -1.136 . . . . 0.0 109.691 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.4 m -74.91 119.5 19.18 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -105.8 137.32 43.88 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.196 0.998 . . . . 0.0 112.456 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 14.0 ttp180 -117.95 108.34 15.16 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -68.06 129.95 41.47 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -177.217 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -75.95 171.92 13.61 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -131.74 -58.34 0.97 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.125 -0.984 . . . . 0.0 111.142 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -3.62 1.51 Allowed Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.311 -0.868 . . . . 0.0 112.153 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.9 t -90.67 137.06 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.478 -1.601 . . . . 0.0 110.504 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 55' ' ' GLY . 39.0 mttp -51.8 173.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.764 0.792 . . . . 0.0 110.258 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.07 -30.62 0.11 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 67.63 -13.22 0.64 Allowed Glycine 0 N--CA 1.492 2.385 0 O-C-N 120.856 -1.379 . . . . 0.0 109.857 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 54' ' ' GLY . 22.3 mtpp -75.95 -18.96 59.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.259 . . . . 0.0 109.141 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 120.55 7.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.488 -0.758 . . . . 0.0 111.166 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p -141.45 141.03 30.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 108.842 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -100.16 168.07 10.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.355 -0.84 . . . . 0.0 109.019 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.77 150.31 41.19 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.405 ' O ' ' OG ' ' A' ' 64' ' ' SER . 54.8 t0 -74.07 113.64 11.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 0.0 110.973 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.93 -25.55 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -70.5 -5.48 29.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 79.6 p -102.96 -8.32 20.75 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.641 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -70.03 139.55 87.89 Favored Pre-proline 0 N--CA 1.481 1.121 0 O-C-N 121.144 -0.973 . . . . 0.0 109.261 -179.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' THR . 62.2 Cg_exo -39.58 143.16 0.39 Allowed 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 121.7 1.6 . . . . 0.0 111.336 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.4 m -41.91 -65.61 0.43 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -49.11 -45.58 43.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.321 -0.862 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.73 -34.11 75.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.4 -0.812 . . . . 0.0 110.687 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -55.22 -42.81 73.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.758 -1.214 . . . . 0.0 108.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -61.58 -40.11 93.61 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -64.81 -45.66 85.26 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.411 -0.916 . . . . 0.0 108.632 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.59 -51.82 38.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.456 HG23 ' H ' ' A' ' 80' ' ' SER . 36.8 mt -56.14 -45.6 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 109.023 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.29 73.6 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.694 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -63.55 -37.76 88.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 77' ' ' LEU . 20.9 mt -73.2 -38.86 65.97 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.91 36.82 7.06 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.1 mt -90.98 -74.98 0.48 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.213 -1.169 . . . . 0.0 108.804 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.456 ' H ' HG23 ' A' ' 74' ' ' ILE . 39.2 m -115.59 175.37 5.55 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.615 -0.678 . . . . 0.0 109.186 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.536 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.711 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.681 0 C3'-C2'-C1' 107.157 3.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.421 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.612 1 O4'-C1'-N19 111.468 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.463 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.663 0 C3'-C2'-C1' 107.188 3.206 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.463 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.837 3.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.424 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.254 0 O4'-C1'-N19 110.982 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.505 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 111.41 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.505 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.495 3.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.439 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.296 4.371 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.554 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.625 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.437 1 O4'-C1'-N19 111.615 4.768 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.625 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.563 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.467 1 O4'-C1'-N19 112.315 5.644 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.563 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.86 5.075 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.474 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.373 0 O4'-C1'-N19 110.694 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.035 4.044 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.494 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.745 ' H6 ' " O5'" ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 C3'-C2'-C1' 106.977 3.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.643 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.403 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.971 5.214 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.096 1 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.547 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.28 4.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.547 " O5'" H2'' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.368 4.459 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.475 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.283 4.353 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.471 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.7 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.676 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.567 3.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.676 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.849 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.507 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.162 0 O4'-C1'-N19 110.399 3.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.507 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.393 0 O4'-C1'-N19 110.509 3.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.477 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.561 1 O4'-C1'-N19 111.41 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.405 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.595 1 O4'-C1'-N19 111.244 4.306 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.805 3.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.3 t -159.12 172.84 17.37 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.302 -0.874 . . . . 0.0 109.306 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.525 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 69.7 mt -143.11 160.5 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 16.1 m95 -145.91 159.38 43.31 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -149.29 158.34 44.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.005 -1.059 . . . . 0.0 111.006 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.14 150.54 68.41 Favored Pre-proline 0 N--CA 1.488 1.455 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.33 -50.11 4.62 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.982 1.788 . . . . 0.0 112.651 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.442 ' NE2' ' OP1' ' C' ' 128' ' ' ' DT' . 72.4 mt-30 -56.39 -32.52 64.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.453 -0.779 . . . . 0.0 111.434 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -74.92 -35.35 62.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.563 -1.336 . . . . 0.0 108.75 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.03 -54.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.428 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -50.14 -26.11 4.22 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.238 -179.493 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.49 -10.63 59.44 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.746 -0.596 . . . . 0.0 110.302 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.47 157.28 22.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.663 -1.273 . . . . 0.0 109.458 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.2 m-20 -70.13 165.12 22.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.969 -1.082 . . . . 0.0 108.86 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.89 -15.85 2.16 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -89.92 151.3 45.13 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 120.97 -1.312 . . . . 0.0 109.872 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -36.19 -67.82 0.09 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.035 2.49 . . . . 0.0 112.823 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.69 14.25 4.83 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.6 m -146.71 147.74 31.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.516 -0.991 . . . . 0.0 109.129 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 t -55.3 -56.24 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.083 -1.011 . . . . 0.0 109.206 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.09 74.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.918 -1.114 . . . . 0.0 108.814 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.28 -38.33 77.68 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.27 -50.02 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.923 -1.339 . . . . 0.0 108.81 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.565 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 74.1 m-70 -59.9 -23.07 63.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.224 -0.922 . . . . 0.0 109.56 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.9 t80 -60.93 -75.21 0.07 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 108.909 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.66 -35.88 63.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.305 -0.872 . . . . 0.0 109.902 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.56 39.07 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.087 -1.008 . . . . 0.0 110.628 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.6 p30 -75.08 -44.81 45.39 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.186 -0.947 . . . . 0.0 110.076 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.5 -42.74 92.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.616 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 67.8 mt-30 -85.26 -35.5 21.5 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.263 -0.898 . . . . 0.0 109.547 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.61 51.53 2.49 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 41.2 m0 -66.85 147.43 53.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -1.16 . . . . 0.0 109.508 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.7 m -73.73 118.21 16.42 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -100.52 136.75 39.91 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.326 1.06 . . . . 0.0 112.966 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 8.6 ttm-85 -102.77 139.09 38.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -77.3 119.9 21.59 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 121.154 -0.966 . . . . 0.0 109.914 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -95.47 145.18 25.36 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 52' ' ' VAL . 16.8 mt-10 -130.7 -50.33 1.06 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.378 -0.826 . . . . 0.0 109.667 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -39.37 -25.52 0.05 OUTLIER Glycine 0 N--CA 1.498 2.801 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' GLU . 9.9 t -88.41 128.9 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.153 -1.204 . . . . 0.0 109.07 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -54.53 145.58 18.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.483 -0.761 . . . . 0.0 109.28 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 115.34 -34.37 4.84 Favored Glycine 0 N--CA 1.501 2.968 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.71 -37.5 0.37 Allowed Glycine 0 N--CA 1.493 2.443 0 O-C-N 121.207 -1.172 . . . . 0.0 110.297 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.8 mtpp -66.33 -11.22 49.64 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.074 -1.25 . . . . 0.0 109.006 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.74 135.75 57.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.521 -0.737 . . . . 0.0 111.156 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 m -142.09 137.34 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.47 171.2 8.71 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.062 -1.024 . . . . 0.0 109.071 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.452 ' OH ' ' ND1' ' A' ' 36' ' ' HIS . 91.6 m-85 -127.14 147.86 50.17 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.424 -0.798 . . . . 0.0 109.407 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -77.44 114.32 16.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.432 -0.793 . . . . 0.0 110.377 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.76 -28.95 44.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.321 -0.862 . . . . 0.0 108.782 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.1 mmt -72.77 0.32 11.2 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 109.599 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.8 p -108.2 -12.04 15.15 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.369 -0.832 . . . . 0.0 109.312 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mtt -74.0 147.76 86.29 Favored Pre-proline 0 N--CA 1.484 1.233 0 O-C-N 120.88 -1.138 . . . . 0.0 108.743 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' THR . 72.7 Cg_exo -41.53 139.06 2.09 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 121.415 1.41 . . . . 0.0 110.398 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PRO . 22.4 m -44.09 -54.7 5.31 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.207 -0.933 . . . . 0.0 109.86 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.66 -47.06 70.73 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.091 -1.005 . . . . 0.0 108.776 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -64.96 -53.27 49.0 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.334 -0.854 . . . . 0.0 110.996 -179.051 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -56.88 -26.35 58.64 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.978 -1.077 . . . . 0.0 109.719 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -65.87 -37.8 87.12 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.44 ' N ' HE21 ' A' ' 72' ' ' GLN . 2.6 mm-40 -62.31 -41.04 98.2 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 t -70.71 -57.91 6.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.7 mt -51.84 -36.56 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -0.931 . . . . 0.0 108.623 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.85 -42.85 26.47 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 119.431 -0.908 . . . . 0.0 108.727 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.53 -38.25 90.42 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 106.943 -1.502 . . . . 0.0 106.943 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 77' ' ' LEU . 18.7 mt -71.06 -38.48 72.5 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.01 40.85 7.36 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -90.58 -76.03 0.45 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.219 -1.166 . . . . 0.0 109.229 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.3 t -56.63 -174.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.301 -0.874 . . . . 0.0 109.237 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.472 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.506 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.404 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.85 3.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.581 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.793 0 O4'-C1'-N19 110.552 3.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.671 " H2'" ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.061 1 O4'-C1'-N19 111.171 4.214 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.671 ' H72' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.051 0 C3'-C2'-C1' 107.136 3.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.46 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.464 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.024 0 O4'-C1'-N19 110.774 3.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.464 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.534 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.378 1 O4'-C1'-N19 111.133 4.167 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.534 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.339 1 O4'-C1'-N19 111.165 4.207 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.607 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.663 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.607 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.561 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.357 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.534 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.534 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.684 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.888 0 C3'-C2'-C1' 106.828 2.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.684 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.479 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.86 1 O4'-C1'-N19 111.543 4.678 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.479 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.498 4.622 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.573 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.867 1 O4'-C1'-N19 111.129 4.161 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.573 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.505 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.424 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.505 " O4'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.349 1 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.63 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.63 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.368 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.452 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.042 1 O4'-C1'-N19 111.123 4.153 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.594 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.834 0 O4'-C1'-N19 110.411 3.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.594 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C1'-N19 110.977 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.448 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.68 1 O4'-C1'-N19 111.092 4.114 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 pttm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.4 t -159.15 173.04 17.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 109.757 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 64.4 mt -141.59 164.66 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 21.1 m95 -148.17 153.58 38.99 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.621 -0.674 . . . . 0.0 109.718 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 m -149.65 153.47 37.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 0.0 110.648 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 p -81.5 150.99 68.06 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -41.82 -46.89 6.55 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.137 1.891 . . . . 0.0 112.865 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.561 ' NE2' ' CE ' ' A' ' 23' ' ' MET . 26.8 mm-40 -54.8 -33.17 61.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.903 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.81 -36.62 56.81 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ALA . 69.5 mt -74.88 -59.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 O-C-N 121.596 -0.69 . . . . 0.0 110.281 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.561 ' CE ' ' NE2' ' A' ' 20' ' ' GLN . 2.1 ptt? -52.24 -24.27 7.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.065 -1.022 . . . . 0.0 108.582 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.3 -16.65 54.15 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.184 -0.607 . . . . 0.0 109.421 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -79.38 150.93 31.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.05 -1.031 . . . . 0.0 109.761 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -66.48 152.0 46.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.062 -1.024 . . . . 0.0 108.867 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -23.21 4.09 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' PRO . 10.5 mmt -92.61 143.35 27.01 Favored Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.229 -1.16 . . . . 0.0 109.67 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' MET . 86.8 Cg_exo -40.94 170.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.189 1.926 . . . . 0.0 112.653 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.38 28.66 7.07 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.444 ' OG ' ' C7 ' ' B' ' 105' ' ' ' DT' . 0.3 OUTLIER -145.49 138.87 26.42 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.454 -1.027 . . . . 0.0 109.02 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 t -54.84 -46.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.427 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.29 79.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.801 -1.187 . . . . 0.0 108.811 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.39 -32.65 64.43 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.5 -51.9 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.412 -1.052 . . . . 0.0 108.645 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.603 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 89.7 m-70 -64.76 -21.97 66.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.389 -0.819 . . . . 0.0 109.728 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 37.3 t80 -62.57 -76.66 0.06 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.39 -0.819 . . . . 0.0 109.41 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.657 ' NH1' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -55.7 -28.83 57.76 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.228 -0.92 . . . . 0.0 109.958 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.15 -49.07 72.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 110.369 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 11.5 p30 -73.14 -43.94 60.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.099 -1.001 . . . . 0.0 109.508 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 43.7 t -57.74 -43.59 84.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.566 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.657 HE21 ' NH1' ' A' ' 38' ' ' ARG . 13.1 mm-40 -87.0 -43.2 12.52 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.346 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 99.13 57.23 0.97 Allowed Glycine 0 N--CA 1.498 2.81 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -68.24 142.42 55.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.237 -1.155 . . . . 0.0 110.321 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.3 m -73.57 142.54 46.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -134.8 133.83 40.23 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.649 1.214 . . . . 0.0 111.773 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.99 137.9 39.66 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 8.3 tmtt? -72.34 123.38 22.9 Favored 'General case' 0 C--N 1.29 -2.002 0 O-C-N 121.379 -0.826 . . . . 0.0 110.121 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -103.76 153.15 21.02 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 52' ' ' VAL . 22.5 mt-10 -131.27 -42.72 1.06 Allowed 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.315 -0.865 . . . . 0.0 110.619 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.96 -35.26 0.01 OUTLIER Glycine 0 N--CA 1.501 3.016 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 -178.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' GLU . 28.6 t -91.3 143.98 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.154 -1.203 . . . . 0.0 109.929 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' NZ ' ' C2 ' ' B' ' 112' ' ' ' DA' . 1.9 mtpm? -51.53 -171.04 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.722 0.772 . . . . 0.0 110.009 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.26 -46.4 1.02 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 83.94 -34.11 3.03 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.684 ' HZ2' ' N2 ' ' B' ' 110' ' ' ' DG' . 19.8 mtmm -65.93 4.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.409 -1.054 . . . . 0.0 108.821 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -68.2 123.61 21.16 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.438 -0.789 . . . . 0.0 111.0 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.47 133.18 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.25 166.83 11.71 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.186 -0.946 . . . . 0.0 109.827 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -116.47 149.21 39.88 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -79.67 110.69 15.24 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.323 -0.861 . . . . 0.0 110.778 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.51 -25.55 38.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.4 mmm -72.83 1.61 8.28 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.611 -0.836 . . . . 0.0 108.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.7 p -111.11 -11.78 14.23 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 mtt -73.69 156.7 88.27 Favored Pre-proline 0 N--CA 1.485 1.303 0 O-C-N 121.172 -0.955 . . . . 0.0 109.187 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -39.45 136.32 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.263 1.976 . . . . 0.0 111.821 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.2 m -43.41 -57.88 2.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.286 -0.884 . . . . 0.0 110.077 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -49.91 -49.55 49.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.061 -1.024 . . . . 0.0 109.233 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.72 -28.56 69.97 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 0.0 111.116 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -57.55 -61.03 2.79 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.63 -1.294 . . . . 0.0 109.926 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 4.3 pt-20 -59.95 -33.31 71.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 108.565 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.23 -51.35 61.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.951 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.46 -51.5 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.677 ' CG2' ' H ' ' A' ' 80' ' ' SER . 68.8 mt -54.81 -38.52 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.88 74.88 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.671 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -63.06 -36.34 83.26 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' A' ' 79' ' ' LEU . 85.4 mt -72.49 -39.78 67.41 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 89.65 33.01 9.51 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.844 -1.702 . . . . 0.0 108.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 77' ' ' LEU . 5.0 mp -95.26 -85.96 0.31 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.513 -0.992 . . . . 0.0 108.864 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.677 ' H ' ' CG2' ' A' ' 74' ' ' ILE . 51.8 p 46.79 -171.61 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.558 -0.714 . . . . 0.0 109.895 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.404 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.349 3.186 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.533 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.545 " H2'" ' H71' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.545 ' H71' " H2'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.539 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.549 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.549 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O4'-C1'-N19 110.559 3.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.502 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.661 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.684 ' N2 ' ' HZ2' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O4'-C1'-N19 111.29 4.363 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.54 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.78 4.975 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.54 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 111.011 4.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.486 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.595 4.744 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.568 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.51 0 O4'-C1'-N19 110.786 3.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.568 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.341 4.427 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.629 3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.67 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 C3'-C2'-C1' 106.928 3.02 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.67 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.911 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.483 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.84 1 O4'-C1'-N19 112.131 5.414 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.483 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.465 1 O4'-C1'-N19 111.411 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 111.16 4.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.687 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.364 4.455 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.687 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.137 4.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.446 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.322 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.5 ' O2 ' ' CE ' ' A' ' 56' ' ' LYS . . . . . . . . 1 C5'--C4' 1.544 4.089 1 O4'-C1'-N19 111.256 4.32 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.644 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.798 3.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.644 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.351 4.439 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.458 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.975 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.554 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.562 3.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.554 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.168 4.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.743 3.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.5 t -161.62 179.08 8.46 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.33 -0.856 . . . . 0.0 109.5 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 16' ' ' TRP . 64.8 mt -142.63 163.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.553 ' N ' HG22 ' A' ' 15' ' ' ILE . 21.4 m95 -146.47 155.4 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.5 m -149.64 156.67 42.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.164 -0.96 . . . . 0.0 110.674 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -79.97 145.17 60.79 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -40.24 -42.57 3.63 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.937 1.758 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -56.86 -33.03 66.4 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.497 -0.752 . . . . 0.0 111.47 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.94 -36.79 59.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.62 -1.3 . . . . 0.0 109.368 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.2 mt -75.13 -54.52 13.98 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.417 -0.802 . . . . 0.0 110.565 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' PRO . 1.1 ptt? -52.39 -24.83 8.4 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.27 -14.38 57.47 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.737 -0.602 . . . . 0.0 109.679 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.75 153.0 31.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.948 -1.095 . . . . 0.0 109.829 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.56 149.59 48.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.0 109.445 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.74 -19.74 7.08 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.5 mmt -96.78 145.13 29.06 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.208 -1.172 . . . . 0.0 110.543 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 23' ' ' MET . 87.7 Cg_exo -44.95 175.14 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.908 1.738 . . . . 0.0 112.365 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.6 31.49 5.0 Favored Glycine 0 N--CA 1.499 2.855 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 p -148.37 143.42 26.83 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.358 -1.083 . . . . 0.0 109.178 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.84 -53.75 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.018 -1.051 . . . . 0.0 109.491 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.72 -35.16 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.777 -1.202 . . . . 0.0 108.867 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.38 64.41 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.12 -46.86 92.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.057 -1.261 . . . . 0.0 108.762 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.54 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 74.6 m-70 -61.38 -23.54 65.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.315 -0.866 . . . . 0.0 108.97 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 26.3 t80 -58.97 -73.86 0.08 Allowed 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' HB3' HE21 ' A' ' 42' ' ' GLN . 36.6 mtp180 -56.19 -41.73 76.02 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.258 -0.901 . . . . 0.0 110.271 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.04 -47.76 64.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 0.0 111.133 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.9 p30 -73.81 -43.22 59.47 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.937 -1.102 . . . . 0.0 109.47 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.2 t -64.84 -39.89 87.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.756 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.57 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 32.7 mt-30 -88.22 -36.35 16.82 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 0.0 110.102 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.28 53.48 2.48 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.57 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 39.3 m0 -68.05 149.27 49.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -1.12 . . . . 0.0 110.472 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.4 m -74.37 152.32 39.58 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -143.89 132.92 22.83 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.638 -1.289 . . . . 0.0 113.015 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -98.3 124.94 43.19 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 126.73 31.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.309 -0.869 . . . . 0.0 111.633 -177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -86.49 159.39 19.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.395 -0.815 . . . . 0.0 108.919 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' VAL . 24.2 mt-10 -131.86 -59.33 0.95 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.219 -0.926 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -44.68 -14.76 0.04 OUTLIER Glycine 0 N--CA 1.495 2.621 0 O-C-N 121.465 -0.772 . . . . 0.0 111.447 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' GLU . 13.2 t -88.95 141.48 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.763 -1.433 . . . . 0.0 110.29 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' A' ' 55' ' ' GLY . 35.5 mttt -48.97 173.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.349 -0.844 . . . . 0.0 109.189 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.68 -38.11 0.13 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 71.52 -16.24 1.38 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.598 ' O ' HG13 ' A' ' 58' ' ' VAL . 20.2 mtpp -74.32 -17.76 60.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.31 -1.112 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.69 133.23 17.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 0.0 110.812 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 56' ' ' LYS . 26.5 m -141.04 135.33 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.516 -0.74 . . . . 0.0 109.084 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.6 171.45 9.01 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.072 -1.018 . . . . 0.0 108.932 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -125.38 147.62 49.09 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -76.98 111.62 12.73 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.862 . . . . 0.0 110.864 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.25 -27.45 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -5.33 36.18 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.0 p -105.97 -9.91 16.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.404 -0.81 . . . . 0.0 109.278 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.5 mtt -73.26 156.98 88.81 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.077 . . . . 0.0 109.801 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' THR . 88.4 Cg_exo -42.39 139.61 2.84 Favored 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.965 1.777 . . . . 0.0 111.071 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' PRO . 11.0 m -44.31 -54.91 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.284 -0.885 . . . . 0.0 109.656 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -54.15 -49.82 68.37 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.289 -0.882 . . . . 0.0 109.198 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -56.06 -40.67 73.91 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.305 -0.872 . . . . 0.0 109.906 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -52.22 -43.85 64.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.966 -1.084 . . . . 0.0 108.978 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.06 -38.65 89.6 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.51 -45.98 84.91 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.233 -0.987 . . . . 0.0 108.398 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -71.79 -52.58 24.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' GLY . 57.1 mt -53.03 -35.92 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.39 -0.819 . . . . 0.0 109.089 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.03 -39.64 20.98 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.358 -0.839 . . . . 0.0 108.918 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -60.52 -39.96 89.7 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.8 mt -73.4 -38.22 65.69 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 68.43 44.89 71.39 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 109.149 -1.58 . . . . 0.0 109.149 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.714 HD12 ' N ' ' A' ' 80' ' ' SER . 3.2 pp -97.57 -52.21 3.85 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.478 -1.013 . . . . 0.0 110.234 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.714 ' N ' HD12 ' A' ' 79' ' ' LEU . 79.7 p -60.93 164.05 5.26 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.108 -0.995 . . . . 0.0 109.87 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 81' ' ' THR . 2.5 t . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.522 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.422 3.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.882 3.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.598 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C3'-C2'-C1' 107.172 3.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.598 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.85 1 O4'-C1'-N19 111.237 4.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.529 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.173 4.217 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.56 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.623 3.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.56 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.902 3.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.455 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.508 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.959 3.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.508 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.646 3.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.492 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.504 1 O4'-C1'-N19 111.525 4.657 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.567 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.13 1 O4'-C1'-N19 111.669 4.837 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.567 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.182 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.168 4.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.706 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.638 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.525 0 C3'-C2'-C1' 107.042 3.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.638 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.733 3.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.519 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.484 1 O4'-C1'-N19 111.732 4.915 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.519 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.293 1 O4'-C1'-N19 111.491 4.614 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 111.099 4.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.575 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.575 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.73 1 O4'-C1'-N19 111.432 4.54 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.647 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.472 3.339 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.647 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.486 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.007 4.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.486 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.471 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.806 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 1 O4'-C1'-N19 111.362 4.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.475 3.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 27.4 t -161.49 -178.82 6.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.331 -0.856 . . . . 0.0 109.428 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 16' ' ' TRP . 62.8 mt -140.45 163.67 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.54 ' N ' HG22 ' A' ' 15' ' ' ILE . 33.0 m95 -146.88 159.5 43.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.793 -0.567 . . . . 0.0 109.525 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.2 m -150.12 156.94 42.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.165 -0.96 . . . . 0.0 110.869 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.56 156.95 77.85 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.71 -44.89 44.3 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 121.938 1.759 . . . . 0.0 111.23 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.33 -26.74 65.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.451 -0.781 . . . . 0.0 110.587 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -78.32 -42.49 30.54 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.788 -1.195 . . . . 0.0 109.12 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -72.2 -52.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 109.952 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -52.6 -28.77 22.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.257 -0.902 . . . . 0.0 108.994 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.63 -11.67 59.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.717 -0.615 . . . . 0.0 110.07 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.9 146.89 29.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.784 -1.198 . . . . 0.0 109.491 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.11 160.11 16.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.763 -1.21 . . . . 0.0 108.783 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.82 -20.67 6.2 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.2 mmt -91.25 149.3 39.5 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.118 -1.225 . . . . 0.0 109.888 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -33.61 -67.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.962 2.441 . . . . 0.0 113.021 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.57 14.29 4.88 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.08 -1.608 . . . . 0.0 109.08 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -146.9 144.46 29.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.325 -1.103 . . . . 0.0 109.306 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 32' ' ' VAL . 5.8 t -54.08 -45.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.035 -1.041 . . . . 0.0 108.749 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.43 -24.86 63.89 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.188 -0.945 . . . . 0.0 108.79 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.67 92.86 Favored Glycine 0 N--CA 1.487 2.046 0 N-CA-C 108.926 -1.669 . . . . 0.0 108.926 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -61.96 -53.67 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.909 -1.348 . . . . 0.0 108.917 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 85.4 m-70 -52.16 -27.9 16.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.134 -0.978 . . . . 0.0 109.251 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 24.9 t80 -61.31 -74.46 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 108.968 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -54.9 -38.23 67.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.273 -0.892 . . . . 0.0 109.943 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.37 -49.12 62.11 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.254 -0.904 . . . . 0.0 110.405 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -75.14 -46.49 33.96 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.015 -1.053 . . . . 0.0 109.568 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.428 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 58.8 t -62.17 -40.79 88.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.488 -0.885 . . . . 0.0 109.626 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -85.37 -40.99 15.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.155 -0.965 . . . . 0.0 109.339 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 89.16 53.51 2.49 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.95 154.33 41.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.19 -1.182 . . . . 0.0 109.237 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.3 m -71.94 158.52 35.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -139.22 130.72 27.13 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 122.639 1.209 . . . . 0.0 112.317 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.23 119.4 39.3 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -74.42 129.59 38.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.802 0.81 . . . . 0.0 111.919 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.95 161.45 15.17 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 52' ' ' VAL . 11.5 mt-10 -131.45 -60.2 0.95 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.071 -1.018 . . . . 0.0 110.76 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.04 -12.01 0.04 OUTLIER Glycine 0 N--CA 1.494 2.563 0 O-C-N 121.407 -0.808 . . . . 0.0 111.295 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.8 t -89.26 136.86 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 120.775 -1.427 . . . . 0.0 110.42 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 55' ' ' GLY . 33.8 mttp -51.33 -178.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.329 -0.857 . . . . 0.0 110.418 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 63.36 -34.62 0.08 OUTLIER Glycine 0 N--CA 1.488 2.154 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 73.93 -28.25 0.94 Allowed Glycine 0 N--CA 1.49 2.298 0 O-C-N 120.87 -1.371 . . . . 0.0 109.852 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.549 ' HZ3' ' H21' ' B' ' 110' ' ' ' DG' . 13.7 mttm -64.86 -15.93 62.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -1.218 . . . . 0.0 109.07 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.13 116.92 2.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.542 -0.724 . . . . 0.0 111.842 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' VAL . 31.6 m -136.19 129.67 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -90.94 173.29 8.05 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.152 -0.968 . . . . 0.0 109.4 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -128.48 149.55 50.53 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.417 -0.802 . . . . 0.0 109.032 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' O ' ' OG ' ' A' ' 64' ' ' SER . 63.4 t0 -80.53 115.57 20.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.533 -0.73 . . . . 0.0 110.941 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.04 -26.58 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.0 108.82 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.6 mmt -70.36 0.27 6.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 61' ' ' ASP . 60.6 p -107.59 -12.0 15.35 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.623 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.57 150.86 97.54 Favored Pre-proline 0 C--N 1.308 -1.221 0 O-C-N 121.311 -0.868 . . . . 0.0 109.222 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 86.6 Cg_exo -42.19 141.74 1.9 Allowed 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.514 1.476 . . . . 0.0 110.616 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 16.9 m -44.06 -57.28 3.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.249 -0.907 . . . . 0.0 109.8 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -53.3 -46.44 69.37 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.326 -0.859 . . . . 0.0 109.369 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -61.24 -34.64 75.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 110.269 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -55.12 -56.86 15.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.901 -1.125 . . . . 0.0 109.689 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -60.24 -36.06 76.89 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -65.12 -49.01 71.59 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.307 -0.957 . . . . 0.0 108.583 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -71.29 -51.71 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.648 -0.658 . . . . 0.0 109.264 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.538 HG23 ' H ' ' A' ' 80' ' ' SER . 33.2 mt -53.94 -31.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.058 -1.026 . . . . 0.0 108.295 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.45 -39.81 45.4 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -62.74 -37.34 86.2 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.22 -38.37 63.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 82.58 37.4 14.14 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 mt -96.83 -84.02 0.37 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.457 -1.025 . . . . 0.0 109.423 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.538 ' H ' HG23 ' A' ' 74' ' ' ILE . 15.9 p 48.45 -151.46 0.13 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.375 -0.828 . . . . 0.0 109.471 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.352 179.883 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.458 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.415 3.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.68 1 O4'-C1'-N19 111.029 4.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.551 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.874 0 C3'-C2'-C1' 107.282 3.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.551 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-N19 110.926 3.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.535 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.314 4.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.535 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.492 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.549 ' H21' ' HZ3' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.578 4.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.501 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.961 0 O4'-C1'-N19 110.732 3.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.501 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.488 ' C6 ' ' C6 ' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 112.22 5.525 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.505 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.715 4.894 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.505 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.412 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.671 0 O4'-C1'-N19 110.998 3.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.815 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.703 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 C3'-C2'-C1' 106.817 2.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.703 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.11 4.137 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.442 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.824 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.442 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.059 1 O4'-C1'-N19 111.465 4.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.176 4.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.468 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.287 4.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.468 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.761 1 O4'-C1'-N19 111.542 4.678 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.467 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.067 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 1 O4'-C1'-N19 111.526 4.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.695 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.163 4.203 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.695 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.467 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.108 0 O4'-C1'-N19 110.395 3.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.504 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.504 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.453 3.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.499 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 0 O4'-C1'-N19 110.593 3.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -159.61 174.35 14.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.267 -0.895 . . . . 0.0 109.697 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.559 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.8 mt -140.51 163.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.559 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.2 m95 -147.03 157.37 43.59 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.715 -0.616 . . . . 0.0 109.599 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.3 m -148.78 157.4 43.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.923 . . . . 0.0 110.861 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -80.63 149.87 68.79 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -40.57 -54.15 2.44 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.973 1.782 . . . . 0.0 112.441 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -56.83 -27.25 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.604 -0.685 . . . . 0.0 111.591 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.46 -37.98 63.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.591 -1.318 . . . . 0.0 108.657 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.6 mt -75.34 -55.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.513 -0.742 . . . . 0.0 110.41 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.424 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -48.3 -27.55 2.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.055 -1.028 . . . . 0.0 109.537 -179.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.86 -11.96 59.5 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.882 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.64 145.06 28.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.84 -1.163 . . . . 0.0 109.837 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.86 156.47 20.65 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.847 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.25 -16.59 33.06 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.2 mmt -92.74 149.72 38.38 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.172 -1.193 . . . . 0.0 109.931 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -35.95 -72.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.852 2.368 . . . . 0.0 113.395 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 10.89 2.58 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.49 ' OG ' ' C7 ' ' B' ' 105' ' ' ' DT' . 2.2 t -144.01 147.37 33.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.225 -1.162 . . . . 0.0 108.941 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 t -56.67 -43.49 79.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.036 -1.04 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.51 77.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.042 -1.036 . . . . 0.0 108.65 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.65 -36.29 58.82 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.911 -1.675 . . . . 0.0 108.911 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.24 -56.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.11 -1.23 . . . . 0.0 108.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.531 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 82.1 m-70 -52.84 -27.62 19.16 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.701 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.75 -75.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.215 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 13.4 mtp180 -53.18 -32.61 48.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.334 -0.854 . . . . 0.0 109.953 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -54.2 -54.23 42.73 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.235 -0.916 . . . . 0.0 110.78 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -73.84 -43.16 59.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.948 -1.095 . . . . 0.0 109.302 -179.44 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.3 t -57.46 -47.99 83.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.489 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -83.5 -34.14 25.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -0.897 . . . . 0.0 109.368 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 87.62 55.05 2.38 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -66.04 148.47 51.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.098 -1.236 . . . . 0.0 109.233 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.48 149.27 45.99 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.35 132.95 43.4 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.383 1.087 . . . . 0.0 112.117 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -107.44 139.31 42.13 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -73.22 132.57 43.33 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 121.301 -0.874 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 57' ' ' ALA . 50.7 tttt -117.52 147.53 42.69 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.5 mt-10 -131.65 -40.52 1.09 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.024 -1.047 . . . . 0.0 111.096 -178.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -28.93 -34.89 0.01 OUTLIER Glycine 0 N--CA 1.502 3.037 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.074 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.545 ' N ' ' O ' ' A' ' 50' ' ' GLU . 85.7 t -91.29 133.32 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.977 -1.308 . . . . 0.0 110.096 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.42 129.34 41.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.246 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.92 -36.03 1.16 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.04 -43.94 2.74 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.554 ' NZ ' ' N3 ' ' B' ' 110' ' ' ' DG' . 19.6 mttm -66.17 -5.34 9.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -1.081 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -58.44 113.19 1.86 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.335 -0.853 . . . . 0.0 111.394 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.3 m -137.8 136.53 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -94.1 172.12 8.42 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.089 -1.007 . . . . 0.0 109.807 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -127.84 151.27 49.26 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.446 -0.784 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' SD ' ' A' ' 65' ' ' MET . 39.1 t0 -82.01 116.39 21.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 111.472 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.4 -28.6 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 0.0 108.805 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mmm -70.85 1.7 5.18 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.5 p -108.89 -7.29 15.48 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.635 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -71.37 148.39 93.44 Favored Pre-proline 0 C--N 1.311 -1.081 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.8 Cg_exo -40.87 133.01 2.7 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 C-N-CA 121.325 1.35 . . . . 0.0 110.417 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' PRO . 51.8 m -37.6 -57.0 0.99 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.527 -0.733 . . . . 0.0 110.462 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -53.15 -49.65 66.17 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.067 -1.021 . . . . 0.0 108.529 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 73.4 mt-10 -63.86 -52.1 61.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.389 -0.819 . . . . 0.0 111.309 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -53.31 -38.34 63.1 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.374 -1.454 . . . . 0.0 108.793 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.81 -39.28 90.75 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.88 -40.89 97.6 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.12 -56.47 9.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.7 mt -50.43 -29.84 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.26 -43.28 21.64 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 119.717 -0.793 . . . . 0.0 108.866 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -62.67 -37.01 84.75 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 77' ' ' LEU . 21.2 mt -71.55 -40.19 70.19 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.3 41.65 7.84 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' C ' ' N ' ' A' ' 81' ' ' THR . 9.7 mt -90.29 -73.32 0.53 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.8 t -50.7 -13.64 0.15 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 122.014 0.911 . . . . 0.0 109.383 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.474 ' N ' ' C ' ' A' ' 79' ' ' LEU . 47.9 m . . . . . 0 C--N 1.288 -2.071 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.533 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.496 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.616 0 O4'-C1'-N19 110.32 3.15 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.429 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.663 0 O4'-C1'-N19 110.931 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.567 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 C3'-C2'-C1' 107.162 3.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.608 " H2'" ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.05 4.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.608 ' H72' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.589 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.063 1 O4'-C1'-N19 111.287 4.359 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.589 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.52 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.959 3.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.554 ' N3 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.562 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.41 1 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.562 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.504 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.957 5.196 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.51 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.099 1 O4'-C1'-N19 111.819 5.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.51 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.453 0 O4'-C1'-N19 110.701 3.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.508 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.078 4.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.508 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.901 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.618 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.08 0 C3'-C2'-C1' 106.964 3.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.618 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.52 ' C4 ' ' C8 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.818 5.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.52 ' C8 ' ' C4 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.431 1 O4'-C1'-N19 111.759 4.949 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.472 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.058 1 O4'-C1'-N19 111.804 5.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.572 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.025 0 O4'-C1'-N19 110.967 3.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.572 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.103 4.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.492 H2'' " O5'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.479 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.492 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.536 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.654 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.397 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.654 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.101 1 O4'-C1'-N19 111.104 4.129 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.549 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.36 0 O4'-C1'-N19 110.534 3.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.549 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.701 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.461 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.337 0.589 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 15' ' ' ILE . 14.5 t -160.99 179.82 8.14 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.295 -0.878 . . . . 0.0 109.576 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 16' ' ' TRP . 67.5 mt -140.94 163.75 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.546 ' N ' HG22 ' A' ' 15' ' ' ILE . 44.1 m95 -147.32 155.56 42.13 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 27.2 m -151.48 154.4 36.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.171 -0.955 . . . . 0.0 111.277 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 p -83.63 149.67 57.87 Favored Pre-proline 0 C--N 1.302 -1.495 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -39.25 -45.11 2.93 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.179 1.919 . . . . 0.0 112.812 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -54.17 -37.84 64.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.41 -0.807 . . . . 0.0 110.889 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -76.02 -35.04 59.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.76 -1.213 . . . . 0.0 109.032 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -75.31 -56.46 8.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.192 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.76 -25.51 7.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 108.932 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.91 -16.83 54.52 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.06 150.34 30.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.878 -1.139 . . . . 0.0 109.903 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.43 ' O ' ' OE1' ' A' ' 72' ' ' GLN . 10.1 m-20 -65.64 150.78 47.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.977 -1.077 . . . . 0.0 108.644 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.44 -27.41 4.68 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 mmt -92.23 123.24 63.08 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.569 -0.96 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD3' HH11 ' A' ' 38' ' ' ARG . 94.6 Cg_exo -41.79 144.6 0.86 Allowed 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.782 1.655 . . . . 0.0 112.329 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.03 38.98 3.15 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -138.02 126.29 23.09 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.524 -0.986 . . . . 0.0 109.109 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -52.25 -44.66 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.149 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -38.44 65.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.21 -0.931 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.11 -37.7 54.77 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.86 -50.31 75.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.157 -1.202 . . . . 0.0 108.089 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 36.8 m-70 -54.97 -26.78 38.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.397 -0.814 . . . . 0.0 109.082 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.435 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.6 t80 -58.69 -76.97 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.574 -0.704 . . . . 0.0 109.104 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.564 HH21 HE22 ' A' ' 42' ' ' GLN . 7.7 ptm180 -56.62 -29.23 61.95 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.209 -0.932 . . . . 0.0 110.088 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.89 -54.75 34.27 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.899 -1.126 . . . . 0.0 110.657 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 10.0 p30 -74.32 -40.92 61.91 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.236 -0.915 . . . . 0.0 110.149 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.65 -37.94 81.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 119.073 -1.051 . . . . 0.0 110.083 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.564 HE22 HH21 ' A' ' 38' ' ' ARG . 87.3 mt-30 -84.14 -36.98 22.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.031 -1.043 . . . . 0.0 109.942 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.21 49.73 2.0 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.486 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 40.8 m0 -65.58 155.35 36.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.308 -1.113 . . . . 0.0 109.559 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.6 m -75.47 163.41 27.43 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -141.97 142.58 32.98 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 122.671 1.224 . . . . 0.0 111.39 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -127.82 127.19 43.05 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -70.94 131.67 44.06 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.877 0.846 . . . . 0.0 111.47 -177.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -111.77 142.05 44.62 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 52' ' ' VAL . 35.6 mt-10 -130.67 -44.02 1.1 Allowed 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.256 -0.903 . . . . 0.0 110.221 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -37.23 -25.76 0.01 OUTLIER Glycine 0 N--CA 1.499 2.835 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 50' ' ' GLU . 2.8 t -88.61 142.69 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.998 -1.295 . . . . 0.0 109.391 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' NZ ' ' N3 ' ' B' ' 112' ' ' ' DA' . 0.2 OUTLIER -51.01 171.82 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.256 -0.903 . . . . 0.0 109.953 -179.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 77.83 -33.77 1.66 Allowed Glycine 0 N--CA 1.486 2.005 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.05 -30.53 0.3 Allowed Glycine 0 N--CA 1.493 2.44 0 O-C-N 120.905 -1.35 . . . . 0.0 110.313 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.4 mttp -64.66 -2.13 2.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.064 -1.257 . . . . 0.0 109.3 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.67 128.48 36.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 111.492 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 58' ' ' VAL . 18.6 m -138.11 130.83 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.96 164.06 12.69 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.12 -0.988 . . . . 0.0 110.005 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -117.58 150.24 39.32 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 15' ' ' ILE . 59.3 t0 -77.69 121.9 24.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.081 -1.012 . . . . 0.0 110.798 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.95 -27.28 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.5 mmt -74.64 -6.45 48.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.797 -0.564 . . . . 0.0 110.224 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 p -102.58 -5.66 23.67 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.486 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 19.0 mmt -72.63 150.44 91.12 Favored Pre-proline 0 C--N 1.304 -1.386 0 O-C-N 121.507 -0.746 . . . . 0.0 109.445 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' THR . 82.3 Cg_exo -41.27 139.1 1.78 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 121.607 1.538 . . . . 0.0 111.051 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 66' ' ' PRO . 15.0 m -40.87 -58.65 1.63 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.323 -0.86 . . . . 0.0 110.209 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -53.33 -47.51 69.25 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.843 . . . . 0.0 109.284 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.33 -36.94 71.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.345 -0.847 . . . . 0.0 110.215 -178.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -54.46 -47.72 72.61 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.807 -1.183 . . . . 0.0 109.902 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.02 -58.24 9.25 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.618 -0.676 . . . . 0.0 110.105 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' A' ' 69' ' ' GLU . 10.7 pt20 -62.64 -35.86 80.95 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 118.164 -1.414 . . . . 0.0 109.429 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 69' ' ' GLU . 60.1 t -70.33 -48.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' GLY . 50.9 mt -62.67 -37.66 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.47 72.76 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -63.19 -42.36 99.34 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.7 -34.34 69.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 79.9 37.86 21.26 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.6 mt -100.61 -83.72 0.44 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.278 -1.13 . . . . 0.0 108.913 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.44 ' H ' HG23 ' A' ' 74' ' ' ILE . 7.2 t 54.31 -178.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.48 -0.762 . . . . 0.0 109.871 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.591 -179.857 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.449 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.567 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.423 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.52 1 O4'-C1'-N19 111.225 4.281 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.928 0 C3'-C2'-C1' 107.23 3.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.506 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 111.117 4.146 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.438 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.743 3.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.55 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.55 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.067 0 O4'-C1'-N19 110.38 3.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.456 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.573 0 O4'-C1'-N19 110.982 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.621 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.996 1 O4'-C1'-N19 111.425 4.532 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.621 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.131 1 O4'-C1'-N19 111.329 4.412 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.435 H2'' " O5'" ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.81 3.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.561 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.878 1 O4'-C1'-N19 111.791 4.989 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.561 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.714 4.892 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.492 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C1'-N19 110.925 3.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.549 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.798 3.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.549 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.712 0 O4'-C1'-N19 110.51 3.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.663 ' H6 ' " O5'" ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.568 0 C3'-C2'-C1' 107.237 3.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.641 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.932 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.481 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.665 1 O4'-C1'-N19 111.706 4.882 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.481 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 111.472 4.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.409 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.533 4.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.653 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.893 0 O4'-C1'-N19 110.782 3.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.653 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.442 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.29 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.653 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C1'-N19 110.929 3.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.653 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.293 4.366 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.427 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.738 3.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.482 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.639 3.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.482 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 111.295 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.447 3.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.9 t -160.87 175.56 12.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 0.0 109.837 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.549 HG22 ' N ' ' A' ' 16' ' ' TRP . 72.4 mt -142.2 162.41 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.549 ' N ' HG22 ' A' ' 15' ' ' ILE . 23.0 m95 -144.48 155.41 43.7 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.775 -0.578 . . . . 0.0 109.547 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.9 m -149.81 156.15 41.31 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.223 -0.923 . . . . 0.0 111.051 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -82.0 149.82 63.79 Favored Pre-proline 0 N--CA 1.488 1.465 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.91 -43.5 6.94 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.945 1.763 . . . . 0.0 112.587 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -55.42 -39.5 70.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.526 -0.734 . . . . 0.0 111.052 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.27 -32.7 66.87 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.763 -1.21 . . . . 0.0 108.467 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.442 ' C ' ' N ' ' A' ' 24' ' ' ALA . 61.4 mt -76.92 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.685 -0.634 . . . . 0.0 110.278 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.12 -18.47 0.57 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 22' ' ' ILE . . . -80.55 -18.46 48.34 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.04 163.93 26.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.068 -1.02 . . . . 0.0 109.9 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' MET . 8.8 t70 -65.04 -76.21 0.08 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.382 -0.823 . . . . 0.0 111.671 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' H ' ' HG3' ' A' ' 72' ' ' GLN . . . -48.15 -9.41 0.07 OUTLIER Glycine 0 N--CA 1.496 2.665 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -178.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' ' 26' ' ' ASP . 13.1 mmt -100.59 134.35 20.67 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.218 -1.166 . . . . 0.0 110.744 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 87.0 Cg_exo -45.06 -179.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.084 1.856 . . . . 0.0 112.73 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.94 38.69 2.61 Favored Glycine 0 N--CA 1.499 2.842 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -145.54 134.32 22.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.389 -1.065 . . . . 0.0 108.791 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.28 -45.32 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.042 -1.036 . . . . 0.0 109.084 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.06 64.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.186 -0.946 . . . . 0.0 108.678 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.47 -40.29 92.02 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.761 -1.736 . . . . 0.0 108.761 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.68 -53.53 41.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.218 -1.166 . . . . 0.0 108.398 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.519 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.6 m-70 -50.38 -29.77 10.8 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.351 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' HA ' HD21 ' A' ' 40' ' ' ASN . 30.2 t80 -60.52 -74.99 0.07 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.345 -0.847 . . . . 0.0 108.989 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 34.6 ttm180 -53.74 -30.74 45.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.338 -0.851 . . . . 0.0 109.547 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -56.0 -53.33 58.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 0.0 110.519 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 12.9 p30 -73.61 -44.93 55.86 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.11 -0.994 . . . . 0.0 110.054 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 65.6 t -52.43 -45.91 46.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.249 -0.981 . . . . 0.0 109.172 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -86.83 -44.24 11.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.411 -0.806 . . . . 0.0 109.177 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 93.27 58.96 1.25 Allowed Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 27.3 m0 -68.05 159.23 31.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.327 -1.102 . . . . 0.0 109.837 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -74.4 154.83 38.63 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -142.5 131.18 22.66 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 122.729 1.252 . . . . 0.0 112.2 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' NH2' ' CE2' ' A' ' 16' ' ' TRP . 21.1 ttm-85 -97.51 140.52 31.81 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -76.8 125.2 28.87 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 119.332 -0.947 . . . . 0.0 109.542 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -103.25 141.32 36.1 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 52' ' ' VAL . 36.2 mt-10 -126.4 -37.95 2.16 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.428 -0.795 . . . . 0.0 110.09 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.17 -35.24 0.01 OUTLIER Glycine 0 N--CA 1.502 3.097 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 50' ' ' GLU . 39.7 t -89.85 127.66 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.372 -1.075 . . . . 0.0 108.631 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -57.65 115.67 2.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.107 -0.995 . . . . 0.0 108.859 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.1 -33.47 0.3 Allowed Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.87 -38.94 1.1 Allowed Glycine 0 N--CA 1.493 2.454 0 O-C-N 121.206 -1.173 . . . . 0.0 110.9 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.659 ' HZ3' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -77.21 -1.74 31.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.94 -1.329 . . . . 0.0 109.898 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.22 131.67 47.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.993 . . . . 0.0 110.051 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' VAL . 20.9 m -144.73 134.71 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.364 -0.835 . . . . 0.0 109.402 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -96.18 170.1 9.49 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.198 -0.939 . . . . 0.0 109.467 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -120.77 150.4 41.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.422 -0.799 . . . . 0.0 109.438 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -80.06 110.97 15.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 110.211 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.15 -29.28 45.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.239 -0.913 . . . . 0.0 108.903 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.9 mmt -71.16 -0.48 9.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.467 -0.771 . . . . 0.0 109.214 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.3 p -107.98 -10.39 15.51 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 mtt -73.48 144.36 83.68 Favored Pre-proline 0 N--CA 1.484 1.255 0 O-C-N 120.905 -1.122 . . . . 0.0 108.073 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 67' ' ' THR . 84.4 Cg_exo -42.26 139.79 2.63 Favored 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 121.005 1.137 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 9.1 m -41.15 -61.18 1.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.327 -0.858 . . . . 0.0 110.491 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -51.89 -44.99 63.99 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.929 -1.107 . . . . 0.0 109.059 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -63.7 -54.49 34.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.838 . . . . 0.0 110.446 -179.405 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -57.6 -28.56 63.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.096 -1.003 . . . . 0.0 109.812 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -62.83 -38.67 91.68 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.807 -1.183 . . . . 0.0 108.507 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.484 ' HG3' ' H ' ' A' ' 27' ' ' GLY . 32.0 mm-40 -64.39 -41.19 96.8 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.749 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 77' ' ' LEU . 3.2 t -71.34 -56.39 10.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 79' ' ' LEU . 43.5 mt -54.32 -37.43 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.59 -42.79 33.83 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.076 -1.015 . . . . 0.0 108.571 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -63.5 -33.88 76.55 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' VAL . 57.3 mt -71.69 -46.98 57.11 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.01 21.07 5.05 Favored Glycine 0 N--CA 1.5 2.956 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' HB2' HG23 ' A' ' 74' ' ' ILE . 6.0 mp -91.11 -37.87 13.12 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.028 -1.277 . . . . 0.0 108.152 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.442 ' HB2' HG22 ' A' ' 74' ' ' ILE . 35.3 t -57.59 -166.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.66 -0.65 . . . . 0.0 109.897 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.519 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.472 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.443 3.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.493 " H2'" ' H72' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.507 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.493 ' H72' " H2'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.463 3.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.472 H2'' " O5'" ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.472 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.468 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.589 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.589 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.709 3.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.52 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.771 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.52 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 111.277 4.346 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.489 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.904 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.622 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.176 1 O4'-C1'-N19 111.714 4.893 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.622 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 112.23 5.537 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.566 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.583 0 O4'-C1'-N19 110.502 3.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.549 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.292 4.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.43 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.651 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.889 0 C3'-C2'-C1' 106.967 3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.651 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.519 ' C6 ' ' C6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.902 5.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.519 ' C6 ' ' C6 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.285 1 O4'-C1'-N19 111.691 4.863 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.183 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.693 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.166 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.693 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.85 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.412 H2'' " O4'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.444 ' O2 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.536 3.154 1 O4'-C1'-N19 111.712 4.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.601 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.738 0 C3'-C2'-C1' 107.054 3.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.601 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.232 4.29 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.504 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 111.107 4.134 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.479 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.922 0 O4'-C1'-N19 110.42 3.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.442 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.938 3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.442 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.21 4.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 14' ' ' SER . 21.9 ttpt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.403 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 21.4 t -160.71 173.57 15.23 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.276 -0.89 . . . . 0.0 109.401 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 16' ' ' TRP . 62.1 mt -141.84 164.87 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.55 ' N ' HG22 ' A' ' 15' ' ' ILE . 32.1 m95 -148.18 153.28 38.58 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 109.776 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 6.0 m -151.81 153.9 35.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.3 -0.875 . . . . 0.0 110.782 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.51 162.3 63.86 Favored Pre-proline 0 C--N 1.302 -1.47 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.75 -35.16 97.66 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.104 1.869 . . . . 0.0 111.433 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.434 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -59.5 -40.7 87.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.521 -0.737 . . . . 0.0 110.18 -179.806 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -73.11 -35.13 66.52 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.995 -1.065 . . . . 0.0 108.961 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.526 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 86.6 mt -74.09 -58.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 121.71 -0.619 . . . . 0.0 111.009 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -50.67 -24.16 3.14 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.038 -1.039 . . . . 0.0 108.682 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -18.02 47.31 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.838 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB1' ' HA ' ' A' ' 73' ' ' VAL . . . -79.28 151.27 31.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.934 -1.104 . . . . 0.0 109.951 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.24 149.54 49.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.03 -25.29 6.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.526 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 12.2 mmt -93.66 136.99 23.44 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.589 -0.948 . . . . 0.0 109.467 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' MET . 79.9 Cg_exo -42.68 171.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.644 1.562 . . . . 0.0 112.083 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.33 30.98 6.95 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -143.79 139.57 29.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.358 -1.083 . . . . 0.0 109.087 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.9 t -54.39 -41.46 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.166 -0.959 . . . . 0.0 109.726 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.54 69.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.039 . . . . 0.0 109.551 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.01 -37.8 23.33 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.8 -57.42 11.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.212 -1.17 . . . . 0.0 108.4 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.51 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 43.8 m-70 -51.08 -25.75 5.45 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.344 -0.848 . . . . 0.0 109.637 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.528 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 31.6 t80 -61.13 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.291 -0.88 . . . . 0.0 109.312 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.666 HH21 HE22 ' A' ' 42' ' ' GLN . 7.2 ptm180 -56.06 -29.05 59.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.878 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.6 -51.34 67.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.926 -1.109 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.8 p30 -73.62 -41.99 62.06 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.079 -1.013 . . . . 0.0 109.737 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.8 t -64.51 -38.96 83.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.705 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.666 HE22 HH21 ' A' ' 38' ' ' ARG . 92.3 mt-30 -85.12 -30.21 24.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.213 -0.93 . . . . 0.0 109.895 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.66 53.9 3.08 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -68.06 149.82 49.19 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -1.187 . . . . 0.0 109.85 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -72.55 153.77 41.14 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -142.34 131.25 22.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.756 -1.215 . . . . 0.0 111.832 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 3.6 ttp180 -105.8 135.4 47.29 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.49 131.82 43.04 Favored 'General case' 0 C--N 1.292 -1.935 0 O-C-N 121.336 -0.853 . . . . 0.0 111.061 -178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 47.0 tttt -119.78 126.56 51.32 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 52' ' ' VAL . 19.8 mt-10 -117.58 -38.31 3.32 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.336 -0.852 . . . . 0.0 110.784 -177.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.81 -30.89 0.01 OUTLIER Glycine 0 N--CA 1.501 2.985 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.559 ' N ' ' O ' ' A' ' 50' ' ' GLU . 46.0 t -90.15 144.65 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.082 -1.246 . . . . 0.0 110.132 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.447 ' NZ ' " C1'" ' B' ' 113' ' ' ' DA' . 6.2 ttmm -55.63 144.89 25.1 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.48 -45.85 1.22 Allowed Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 -41.52 3.04 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.061 -1.258 . . . . 0.0 110.526 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.558 ' NZ ' ' N3 ' ' B' ' 110' ' ' ' DG' . 23.3 mttm -66.71 -14.26 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.95 -1.324 . . . . 0.0 109.714 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . -43.72 125.81 4.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.398 -0.814 . . . . 0.0 110.285 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 58' ' ' VAL . 9.2 p -142.34 129.32 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -94.04 165.97 12.38 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.852 -1.155 . . . . 0.0 109.873 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.6 148.87 43.97 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -80.31 114.04 18.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 111.283 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.05 -27.37 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mtt -72.21 -2.57 19.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.6 p -106.91 -13.75 15.14 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.262 -0.899 . . . . 0.0 108.971 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mtt -72.07 158.44 87.63 Favored Pre-proline 0 N--CA 1.487 1.382 0 O-C-N 121.052 -1.03 . . . . 0.0 109.455 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.15 141.2 1.14 Allowed 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.125 1.883 . . . . 0.0 111.592 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.9 m -46.23 -56.55 5.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.074 -1.016 . . . . 0.0 109.692 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' C ' HE21 ' A' ' 72' ' ' GLN . 16.4 mmmt -50.55 -47.45 57.7 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.279 -0.888 . . . . 0.0 109.047 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -60.03 -37.15 78.92 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 110.589 -179.083 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -54.9 -53.04 60.61 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.032 -1.042 . . . . 0.0 111.409 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.48 -55.08 35.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 110.639 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.464 ' NE2' ' OE1' ' A' ' 69' ' ' GLU . 13.7 pt20 -61.19 -38.37 86.27 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 118.605 -1.238 . . . . 0.0 109.713 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 69' ' ' GLU . 78.1 t -69.45 -47.46 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.549 HG23 ' H ' ' A' ' 80' ' ' SER . 39.2 mt -60.88 -42.63 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.03 -37.15 85.17 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -64.36 -38.79 92.27 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -71.97 -38.53 69.72 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 86.83 34.27 11.47 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt -96.9 -80.68 0.43 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.299 -1.118 . . . . 0.0 109.254 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.549 ' H ' HG23 ' A' ' 74' ' ' ILE . 1.9 t 64.69 -176.39 0.17 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.418 -0.802 . . . . 0.0 109.731 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 49.0 p . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.461 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 0 O4'-C1'-N19 110.524 3.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.436 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.657 3.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.55 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O4'-C1'-N19 110.513 3.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.55 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.226 4.283 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.438 " H2'" ' H72' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.487 0 O4'-C1'-N19 110.8 3.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.564 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.564 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.006 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.475 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.818 1 O4'-C1'-N19 111.026 4.032 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.558 ' N3 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.533 2.758 1 O4'-C1'-N19 111.152 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.263 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.802 3.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.561 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.034 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.561 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.081 1 O4'-C1'-N19 111.718 4.897 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.45 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.222 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.448 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.652 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.804 0 C3'-C2'-C1' 107.243 3.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.652 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.986 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.527 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.892 5.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.527 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.083 1 O4'-C1'-N19 111.626 4.783 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.551 4.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.707 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.131 4.163 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.707 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.555 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.494 ' C5 ' ' C4 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.569 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.48 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.411 1 O4'-C1'-N19 111.7 4.875 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.619 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.348 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.619 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.443 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.491 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.371 3.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.491 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.705 1 O4'-C1'-N19 111.075 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.421 H2'' " O5'" ' C' ' 135' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.927 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . 0.421 " O5'" H2'' ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.447 0 O4'-C1'-N19 110.742 3.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tttt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.446 0.641 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -161.7 169.79 20.88 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.44 -0.788 . . . . 0.0 109.091 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 16' ' ' TRP . 63.0 mt -143.62 163.83 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.539 ' N ' HG22 ' A' ' 15' ' ' ILE . 20.6 m95 -148.69 154.71 40.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.664 -0.648 . . . . 0.0 109.481 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 34.1 m -150.67 158.36 44.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.568 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.4 m -80.64 146.62 61.1 Favored Pre-proline 0 N--CA 1.488 1.452 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.55 -46.35 4.55 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 121.919 1.746 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.27 -31.82 65.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.448 -0.783 . . . . 0.0 111.161 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -74.02 -41.03 62.45 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.796 -1.19 . . . . 0.0 109.059 -179.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.9 mt -74.21 -52.6 19.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 110.215 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -51.58 -23.72 4.54 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 0.0 108.448 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.06 -15.17 54.44 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.885 -0.509 . . . . 0.0 109.862 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.08 29.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.999 -1.063 . . . . 0.0 109.5 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.99 154.86 29.2 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.081 -1.012 . . . . 0.0 109.079 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.4 -17.46 24.17 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -91.82 148.79 37.85 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 109.628 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -35.57 -61.82 0.26 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.725 2.284 . . . . 0.0 113.145 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.43 17.68 8.02 Favored Glycine 0 N--CA 1.498 2.821 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -145.45 142.21 29.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.534 -0.98 . . . . 0.0 108.906 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.2 -55.58 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.945 -1.097 . . . . 0.0 108.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.49 74.2 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.18 -39.73 65.0 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.37 -58.35 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.13 -1.218 . . . . 0.0 108.189 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.498 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 61.2 m-70 -46.68 -38.2 9.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.299 -0.876 . . . . 0.0 109.638 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.543 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 23.8 t80 -56.49 -75.72 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.713 ' CZ ' HE21 ' A' ' 42' ' ' GLN . 0.4 OUTLIER -55.49 -32.29 62.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 110.147 179.321 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.11 78.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.824 -1.173 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 10.5 p30 -73.16 -43.12 61.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.03 -1.044 . . . . 0.0 109.935 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.85 -40.38 75.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.305 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.713 HE21 ' CZ ' ' A' ' 38' ' ' ARG . 29.6 mm-40 -86.16 -45.88 10.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.487 -0.758 . . . . 0.0 109.56 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.6 56.0 0.78 Allowed Glycine 0 N--CA 1.496 2.684 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -67.11 140.17 57.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.378 -1.071 . . . . 0.0 109.907 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.5 m -72.48 147.69 45.81 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -138.98 132.67 30.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.788 -1.195 . . . . 0.0 111.984 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.539 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 12.4 ttm180 -101.25 139.3 37.12 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -71.98 130.64 41.46 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 121.282 -0.886 . . . . 0.0 110.227 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 57' ' ' ALA . 56.5 tttt -114.14 143.96 43.95 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 30.9 mm-40 -130.63 -39.11 1.28 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.193 -0.942 . . . . 0.0 110.39 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.11 -35.37 0.01 OUTLIER Glycine 0 N--CA 1.502 3.065 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 65.2 t -93.18 145.27 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.208 -1.171 . . . . 0.0 109.701 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 52' ' ' VAL . 19.5 mttp -51.24 -177.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.31 -0.869 . . . . 0.0 109.295 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 83.3 -38.89 2.76 Favored Glycine 0 N--CA 1.489 2.219 0 C-N-CA 120.292 -0.956 . . . . 0.0 110.717 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.41 -35.61 0.56 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.741 ' HZ2' ' N2 ' ' B' ' 110' ' ' ' DG' . 19.0 mtmm -67.15 -1.89 4.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -1.15 . . . . 0.0 109.148 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -60.66 120.65 10.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.278 -0.889 . . . . 0.0 111.504 -178.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 58' ' ' VAL . 34.5 m -136.04 131.85 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -95.42 166.44 11.87 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.125 -0.984 . . . . 0.0 110.018 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -117.16 149.68 39.97 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -79.42 114.85 18.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 111.171 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.41 -27.5 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 O-C-N 121.177 -0.952 . . . . 0.0 108.534 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.87 -4.07 18.64 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.9 p -102.63 -6.78 22.38 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.612 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.8 146.45 95.55 Favored Pre-proline 0 N--CA 1.481 1.097 0 O-C-N 121.133 -0.979 . . . . 0.0 108.618 179.52 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 69' ' ' GLU . 78.4 Cg_exo -40.87 128.82 2.78 Favored 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.249 1.299 . . . . 0.0 110.123 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 66' ' ' PRO . 27.6 m -33.02 -58.17 0.37 Allowed 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.689 -0.632 . . . . 0.0 111.023 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -54.56 -45.98 73.59 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.858 -1.151 . . . . 0.0 108.698 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' PRO . 64.0 mm-40 -65.54 -49.09 70.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.535 -0.728 . . . . 0.0 112.005 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -53.89 -42.37 68.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.404 -1.435 . . . . 0.0 109.412 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.9 -38.0 89.19 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -64.16 -41.01 97.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.0 -56.88 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.529 ' CG2' ' H ' ' A' ' 80' ' ' SER . 82.4 mt -51.11 -41.13 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.92 84.55 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.74 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -63.8 -37.81 88.75 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.3 mt -70.74 -38.76 73.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 90.06 36.2 7.28 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 74' ' ' ILE . 1.5 mp -87.79 -81.63 0.24 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.518 -0.989 . . . . 0.0 108.412 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.529 ' H ' ' CG2' ' A' ' 74' ' ' ILE . 5.0 t 60.27 -170.05 0.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.603 -0.686 . . . . 0.0 109.575 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 80' ' ' SER . 56.3 p . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 118.026 -0.987 . . . . 0.0 109.644 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.52 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.671 0 C3'-C2'-C1' 107.012 3.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.498 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.552 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.552 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.542 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.546 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.559 1 O4'-C1'-N19 111.652 4.814 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.546 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.115 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.407 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.64 1 O4'-C1'-N19 111.193 4.241 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.741 ' N2 ' ' HZ2' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.888 1 O4'-C1'-N19 111.469 4.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.592 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.319 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.592 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.538 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.649 1 O4'-C1'-N19 111.762 4.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.538 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.735 4.919 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.038 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.419 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 0 O4'-C1'-N19 110.735 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.672 ' H6 ' " O5'" ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 C3'-C2'-C1' 107.216 3.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.629 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.093 0 O4'-C1'-N19 110.888 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.486 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.66 1 O4'-C1'-N19 111.752 4.94 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.465 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.229 1 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.447 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.542 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.107 4.133 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.542 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 111.529 4.662 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.471 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.487 ' O2 ' ' NZ ' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.542 3.932 1 O4'-C1'-N19 111.409 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.645 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.4 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.645 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.546 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.376 3.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.546 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.507 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.386 4.483 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.594 3.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HZ2' ' HB3' ' A' ' 13' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 t -161.86 175.23 12.11 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.332 -0.855 . . . . 0.0 109.743 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.8 mt -141.41 161.85 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 17.2 m95 -144.98 153.6 41.68 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 21.2 m -150.54 155.22 39.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.228 -0.92 . . . . 0.0 111.327 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.86 164.04 55.13 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 177.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.53 -33.83 98.35 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.015 1.81 . . . . 0.0 111.346 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -60.84 -36.22 78.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.372 -0.83 . . . . 0.0 110.594 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -77.91 -35.78 50.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.003 -1.06 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.46 -52.53 19.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.885 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -25.99 22.94 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.8 -14.93 57.63 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.136 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.74 154.5 29.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.8 -1.187 . . . . 0.0 110.17 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 28' ' ' MET . 13.2 m-20 -66.95 153.64 43.08 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.965 -1.084 . . . . 0.0 108.678 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.03 -23.9 3.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.411 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.7 mmt -91.21 152.69 44.22 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.392 -1.063 . . . . 0.0 109.414 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD3' HH11 ' A' ' 38' ' ' ARG . 18.2 Cg_endo -59.57 169.27 4.38 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.111 1.874 . . . . 0.0 111.84 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.92 36.94 3.77 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' H ' ' A' ' 34' ' ' GLY . 0.7 OUTLIER -145.26 133.64 21.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.92 . . . . 0.0 109.029 -179.238 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 32' ' ' VAL . 14.0 t -53.19 -43.42 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.154 -0.966 . . . . 0.0 109.116 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.91 -38.93 72.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.247 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' H ' ' HB2' ' A' ' 31' ' ' SER . . . -50.29 -42.6 41.97 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.33 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.163 -1.198 . . . . 0.0 108.526 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.459 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 37.6 m-70 -59.08 -25.35 63.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.282 -0.886 . . . . 0.0 109.454 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 27.5 t80 -59.98 -77.39 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 29' ' ' PRO . 8.4 ptm180 -52.47 -41.02 62.97 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 110.138 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.25 -31.17 68.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.98 -1.075 . . . . 0.0 111.222 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 4.2 p30 -76.83 -44.95 30.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.775 -1.203 . . . . 0.0 109.695 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.54 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 2.3 p -78.37 -28.85 14.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 C-N-CA 119.414 -0.914 . . . . 0.0 110.013 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.642 ' NE2' ' HE1' ' A' ' 44' ' ' TRP . 33.6 mt-30 -83.29 -21.85 33.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.899 -1.126 . . . . 0.0 109.066 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.03 54.58 11.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.642 ' HE1' ' NE2' ' A' ' 42' ' ' GLN . 40.6 m0 -65.3 158.39 26.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -1.176 . . . . 0.0 109.014 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.8 m -71.12 158.69 36.02 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -139.94 138.89 35.95 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.539 1.161 . . . . 0.0 111.658 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.451 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 5.2 ttp180 -128.63 115.97 18.87 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.16 119.93 19.04 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.59 174.06 7.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.041 -1.037 . . . . 0.0 108.442 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 52' ' ' VAL . 23.6 mt-10 -131.64 -32.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.204 -0.935 . . . . 0.0 110.25 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.72 25.21 0.03 OUTLIER Glycine 0 N--CA 1.497 2.735 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.586 ' H ' ' C ' ' A' ' 50' ' ' GLU . 18.5 t -142.83 130.3 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.948 -1.324 . . . . 0.0 109.088 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 55' ' ' GLY . 67.7 mttt -47.38 175.34 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.794 0.807 . . . . 0.0 110.044 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.55 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 71.03 -34.59 0.51 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 69.05 -25.22 0.31 Allowed Glycine 0 N--CA 1.49 2.257 0 O-C-N 120.881 -1.364 . . . . 0.0 109.722 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 54' ' ' GLY . 35.2 mttm -60.86 -20.09 61.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.01 -1.289 . . . . 0.0 108.494 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.55 125.29 8.15 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.512 0.672 . . . . 0.0 110.134 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 m -140.31 127.18 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.416 -0.803 . . . . 0.0 109.242 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 1.4 mp0 -92.56 171.52 8.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.175 -0.953 . . . . 0.0 108.722 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.459 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 27.8 m-85 -131.5 148.67 52.65 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.52 ' O ' ' SD ' ' A' ' 65' ' ' MET . 53.2 t0 -76.29 116.82 17.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.46 -25.14 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mmt -70.98 -0.23 8.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 0.0 109.128 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 p -110.65 -8.36 14.6 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -69.99 151.59 96.11 Favored Pre-proline 0 N--CA 1.483 1.188 0 O-C-N 121.183 -0.948 . . . . 0.0 109.935 -179.202 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -41.85 142.9 1.27 Allowed 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 121.523 1.482 . . . . 0.0 110.683 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -46.94 -51.11 17.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.939 -1.101 . . . . 0.0 108.664 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 68' ' ' LYS . 87.6 mttt -54.75 -53.44 55.0 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.006 179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -57.0 -35.37 69.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.22 -0.925 . . . . 0.0 110.692 -178.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -55.04 -54.26 45.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.816 -1.177 . . . . 0.0 110.798 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.44 -32.93 70.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.956 -1.09 . . . . 0.0 109.621 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -65.54 -48.45 72.39 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 118.443 -1.303 . . . . 0.0 108.558 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.1 -54.12 24.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -53.62 -43.56 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.66 74.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.07 -1.018 . . . . 0.0 108.858 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.8 -37.15 86.29 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 77' ' ' LEU . 21.3 mt -71.57 -40.86 69.66 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.1 31.43 6.57 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mt -93.38 -38.53 11.42 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.247 -1.149 . . . . 0.0 108.799 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.75 166.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.673 -0.642 . . . . 0.0 109.48 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.515 -179.895 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.451 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.353 3.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.491 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.491 ' H71' " H2'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.555 3.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.424 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.556 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.566 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.566 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.611 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.568 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.568 " O5'" H2'' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.388 4.485 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.564 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 110.735 3.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.516 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.598 1 O4'-C1'-N19 111.91 5.138 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.516 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.327 4.408 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.479 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.241 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.522 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.325 4.407 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.522 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.659 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.652 0 C3'-C2'-C1' 106.697 2.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.659 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.432 4.539 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.424 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.859 5.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.641 4.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.418 4.522 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.603 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.603 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.092 4.114 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.609 0 O4'-C1'-N19 110.781 3.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 1 O4'-C1'-N19 111.276 4.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.667 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.97 3.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.667 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.81 1 O4'-C1'-N19 111.007 4.009 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.555 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.611 0 O4'-C1'-N19 110.809 3.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.555 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.302 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.409 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.402 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.611 3.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 tttp . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 t -161.01 172.34 17.05 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.494 -0.754 . . . . 0.0 109.409 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 16' ' ' TRP . 63.3 mt -142.3 163.45 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.255 -1.016 . . . . 0.0 108.255 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' N ' HG22 ' A' ' 15' ' ' ILE . 24.0 m95 -146.79 154.28 41.19 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.7 m -151.41 159.41 44.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.226 -0.921 . . . . 0.0 110.976 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.01 163.38 60.46 Favored Pre-proline 0 C--N 1.303 -1.446 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.89 -37.63 84.61 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 C-N-CA 122.006 1.804 . . . . 0.0 111.667 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.94 -30.04 68.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.43 -0.794 . . . . 0.0 110.744 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.81 -40.29 40.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.895 -1.128 . . . . 0.0 109.749 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.2 mt -72.94 -51.35 27.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.588 -0.695 . . . . 0.0 110.114 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -28.6 35.6 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.323 -0.861 . . . . 0.0 108.984 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.81 -13.2 59.59 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.796 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.82 150.96 32.17 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.95 -1.094 . . . . 0.0 109.882 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.8 147.45 53.36 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 0.0 109.36 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.18 -23.64 5.99 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 29' ' ' PRO . 11.6 mmt -93.58 140.84 23.24 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.368 -1.078 . . . . 0.0 109.412 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 28' ' ' MET . 83.6 Cg_exo -41.89 171.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.91 1.74 . . . . 0.0 112.538 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.84 30.94 5.71 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.37 137.11 24.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.518 -0.99 . . . . 0.0 108.616 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.38 -50.13 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.19 -0.944 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.6 -40.46 79.15 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.051 -1.03 . . . . 0.0 108.429 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.89 -34.62 45.84 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -65.69 -63.59 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.124 -1.221 . . . . 0.0 109.072 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.455 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 47.2 m-70 -48.89 -25.64 2.02 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.573 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.553 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 20.6 t80 -61.0 -75.05 0.07 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.303 -0.873 . . . . 0.0 109.0 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.73 HH21 HE22 ' A' ' 42' ' ' GLN . 48.1 mtp180 -52.31 -35.81 51.51 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.058 -1.027 . . . . 0.0 109.419 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.77 -54.0 27.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.427 -0.796 . . . . 0.0 110.666 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 8.7 p30 -74.29 -43.96 54.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.043 -1.035 . . . . 0.0 109.783 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.36 -41.59 87.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.489 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.73 HE22 HH21 ' A' ' 38' ' ' ARG . 64.4 mt-30 -86.66 -41.75 13.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.74 49.82 1.9 Allowed Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -65.93 148.22 52.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -1.123 . . . . 0.0 109.461 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.5 m -71.47 156.89 38.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -141.87 128.92 20.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 122.671 1.224 . . . . 0.0 112.303 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -101.11 128.08 47.36 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -71.22 123.62 22.63 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 121.287 -0.883 . . . . 0.0 110.28 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ALA . 57.0 tttp -104.17 136.04 44.53 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' VAL . 17.8 mt-10 -131.0 -38.77 1.23 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.249 -0.907 . . . . 0.0 110.675 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -32.08 -32.16 0.01 OUTLIER Glycine 0 N--CA 1.503 3.137 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 50' ' ' GLU . 41.0 t -90.61 155.05 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.196 -1.179 . . . . 0.0 109.577 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' GLY . 70.8 mttt -50.65 -175.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.338 -0.851 . . . . 0.0 110.11 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 66.66 -39.29 0.18 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 70.18 -21.62 0.51 Allowed Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.015 -1.285 . . . . 0.0 110.044 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.8 mtpp -69.82 -14.07 62.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.096 -1.238 . . . . 0.0 109.326 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' LYS . . . -47.49 134.36 12.1 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.421 -0.799 . . . . 0.0 110.855 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.53 126.81 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -94.48 168.91 10.57 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.97 -1.081 . . . . 0.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -124.61 150.87 45.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' SD ' ' A' ' 65' ' ' MET . 20.2 t0 -77.3 113.73 15.38 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.219 -0.926 . . . . 0.0 111.132 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 88.1 t -62.94 -28.96 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.7 mmt -69.73 -2.52 12.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.265 -0.897 . . . . 0.0 108.732 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.2 p -101.56 -15.11 17.19 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.647 ' N ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -68.26 147.5 98.26 Favored Pre-proline 0 C--N 1.31 -1.12 0 O-C-N 121.227 -0.92 . . . . 0.0 108.914 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -40.15 142.27 0.61 Allowed 'Trans proline' 0 C--N 1.315 -1.232 0 C-N-CA 121.766 1.644 . . . . 0.0 111.192 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -43.86 -61.73 1.34 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.282 -0.887 . . . . 0.0 110.032 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -50.58 -46.52 57.84 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.22 -0.925 . . . . 0.0 109.4 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -59.78 -36.75 77.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.544 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -53.84 -45.42 70.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.901 -1.125 . . . . 0.0 109.587 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.677 -0.639 . . . . 0.0 109.329 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -63.91 -44.75 91.98 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.717 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 t -70.17 -52.53 29.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.625 HG23 ' H ' ' A' ' 80' ' ' SER . 20.9 mt -56.7 -37.0 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.299 -0.876 . . . . 0.0 108.652 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.89 51.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -73.71 -40.03 63.89 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 90.12 35.47 7.58 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.96 -85.65 0.33 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.293 -1.122 . . . . 0.0 109.076 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.625 ' H ' HG23 ' A' ' 74' ' ' ILE . 6.2 p 56.26 -165.46 0.13 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.413 -0.805 . . . . 0.0 109.618 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.936 -1.03 . . . . 0.0 109.412 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 0 O4'-C1'-N19 110.904 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.527 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.527 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.941 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.576 " H2'" ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.976 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.576 ' H72' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.305 3.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.469 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.576 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.576 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.468 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.506 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.1 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.597 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.088 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.597 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.484 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.612 1 O4'-C1'-N19 112.25 5.563 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.501 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.089 1 O4'-C1'-N19 111.816 5.02 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.501 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.537 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 111.323 4.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.537 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.022 0 O4'-C1'-N19 110.679 3.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.652 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 C3'-C2'-C1' 106.79 2.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.652 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.41 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 111.715 4.893 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.41 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.646 4.807 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 1 O4'-C1'-N19 111.241 4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.616 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.107 1 O4'-C1'-N19 111.248 4.309 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.616 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.204 4.256 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.173 0 O4'-C1'-N19 110.88 3.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.51 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.212 1 O4'-C1'-N19 111.259 4.324 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.512 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.336 3.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.512 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.189 0 O4'-C1'-N19 110.474 3.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.421 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.751 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.448 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.432 3.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.458 H2'' " O5'" ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 111.443 4.553 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.458 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 111.817 5.021 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 t -161.3 175.38 12.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.268 -0.895 . . . . 0.0 109.746 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 16' ' ' TRP . 65.5 mt -143.13 162.53 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.53 ' N ' HG22 ' A' ' 15' ' ' ILE . 18.7 m95 -145.35 155.55 43.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.739 -0.601 . . . . 0.0 109.662 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 34.8 m -151.46 156.42 40.57 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 110.919 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -81.66 150.88 67.28 Favored Pre-proline 0 N--CA 1.489 1.503 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -41.88 -48.18 6.14 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.13 1.886 . . . . 0.0 112.714 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -56.08 -31.42 63.2 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.411 -0.806 . . . . 0.0 110.841 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.83 -37.19 56.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.791 -1.193 . . . . 0.0 108.679 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.6 mt -76.17 -51.86 18.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.674 -0.641 . . . . 0.0 110.336 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.2 ptm -51.86 -29.36 19.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.274 -0.891 . . . . 0.0 108.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.36 -12.0 59.64 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.671 -0.643 . . . . 0.0 110.295 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.76 153.17 27.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.609 -1.307 . . . . 0.0 109.815 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -65.41 152.76 43.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 0.0 109.572 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.98 -21.83 4.63 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.7 mmt -91.36 150.1 40.77 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.249 -1.148 . . . . 0.0 109.384 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 31' ' ' SER . 47.5 Cg_endo -69.91 126.92 13.76 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.025 1.817 . . . . 0.0 112.026 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.82 30.81 0.63 Allowed Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 29' ' ' PRO . 24.0 m -129.79 123.52 31.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.617 -0.931 . . . . 0.0 108.535 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 t -51.61 -40.32 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.167 -0.958 . . . . 0.0 109.493 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.89 60.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.042 -1.036 . . . . 0.0 108.862 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.49 -38.85 35.78 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.15 -51.58 69.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.18 -1.188 . . . . 0.0 108.753 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.627 ' HE2' ' P ' ' C' ' 129' ' ' ' DG' . 77.3 m-70 -56.66 -26.68 56.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.481 -0.762 . . . . 0.0 109.757 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.532 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 38.8 t80 -60.04 -73.23 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.646 HH21 HE22 ' A' ' 42' ' ' GLN . 7.5 ptm180 -54.81 -30.27 56.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.329 -0.857 . . . . 0.0 109.092 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.91 -53.97 48.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.165 -0.96 . . . . 0.0 110.724 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 9.6 p30 -73.44 -38.43 65.52 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.143 -0.973 . . . . 0.0 109.935 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -69.2 -36.4 72.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.963 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.646 HE22 HH21 ' A' ' 38' ' ' ARG . 80.4 mt-30 -87.59 -24.66 23.92 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.201 -0.937 . . . . 0.0 109.931 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.6 51.93 3.9 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.531 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.5 m0 -67.56 144.9 55.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.32 -1.106 . . . . 0.0 109.84 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.3 m -72.95 155.26 40.03 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -139.79 135.74 33.35 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.502 1.144 . . . . 0.0 112.176 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.4 123.9 51.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -74.43 125.8 29.34 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.521 -0.737 . . . . 0.0 111.232 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.448 ' NZ ' ' CD ' ' A' ' 59' ' ' GLU . 24.6 mtpp -70.39 -178.74 1.81 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.447 -0.783 . . . . 0.0 109.033 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -131.96 -60.27 0.92 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.11 -0.994 . . . . 0.0 111.454 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.21 1.47 49.16 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 121.283 -0.885 . . . . 0.0 112.81 -176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.6 t -91.05 128.25 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.388 -1.654 . . . . 0.0 110.43 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' A' ' 55' ' ' GLY . 30.4 mttp -53.66 -174.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.374 -0.829 . . . . 0.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 67.87 -31.19 0.24 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 178.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 68.23 -38.87 0.26 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 54' ' ' GLY . 17.1 mtpp -62.5 -4.14 1.78 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.102 -1.234 . . . . 0.0 108.533 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -65.8 120.82 13.71 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.503 -0.748 . . . . 0.0 110.735 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.71 139.84 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.484 -0.76 . . . . 0.0 109.433 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' CD ' ' NZ ' ' A' ' 49' ' ' LYS . 23.3 mt-10 -92.7 173.64 7.67 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.244 -0.91 . . . . 0.0 108.647 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -128.28 149.86 50.31 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.435 -0.79 . . . . 0.0 108.947 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -75.65 118.56 18.61 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.279 -0.888 . . . . 0.0 110.778 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.437 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 77.2 t -64.21 -30.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 121.659 0.742 . . . . 0.0 109.399 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.81 -6.12 47.21 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.638 -0.664 . . . . 0.0 110.31 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.3 p -97.63 -8.61 28.51 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.531 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 18.7 mmt -73.82 150.37 88.39 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.78 -0.575 . . . . 0.0 109.657 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' THR . 79.9 Cg_exo -41.89 141.81 1.63 Allowed 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.462 1.441 . . . . 0.0 110.89 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' PRO . 17.3 m -43.47 -59.27 2.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.279 -0.888 . . . . 0.0 110.052 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -51.77 -47.68 64.04 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.289 -0.882 . . . . 0.0 109.334 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -58.32 -37.19 74.6 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.459 -0.776 . . . . 0.0 110.474 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -54.03 -47.28 71.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.883 -1.135 . . . . 0.0 109.744 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.22 -34.7 74.02 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.503 -0.748 . . . . 0.0 109.509 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.38 -50.91 68.04 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 118.977 -1.089 . . . . 0.0 108.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.65 -50.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.606 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.9 mt -55.36 -35.02 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.016 . . . . 0.0 109.205 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.04 -40.46 24.18 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.133 -0.979 . . . . 0.0 108.743 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -63.76 -35.4 80.47 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -71.76 -49.74 36.27 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.16 24.96 4.61 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.682 ' N ' HD12 ' A' ' 79' ' ' LEU . 7.6 mp -93.87 -39.23 10.81 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.798 -1.413 . . . . 0.0 108.948 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.1 p 55.54 -175.58 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.34 -0.85 . . . . 0.0 109.314 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.402 -179.822 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.438 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.421 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.901 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.606 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.4 3.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.606 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.397 4.496 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.402 3.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.494 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.076 4.095 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.54 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.54 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.937 3.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.566 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.035 1 O4'-C1'-N19 111.253 4.317 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.621 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.621 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.544 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 112.023 5.279 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.497 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.551 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.24 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.551 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.789 1 O4'-C1'-N19 111.054 4.068 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.701 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 C3'-C2'-C1' 107.158 3.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.701 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.015 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.488 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.671 1 O4'-C1'-N19 111.84 5.05 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.401 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.083 1 O4'-C1'-N19 111.721 4.901 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.468 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.943 1 O4'-C1'-N19 111.281 4.351 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.468 " O5'" H2'' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.343 4.429 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.467 H2'' " O5'" ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.478 1 O4'-C1'-N19 111.258 4.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.467 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 1 O4'-C1'-N19 111.258 4.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.627 ' P ' ' HE2' ' A' ' 36' ' ' HIS . . . . . . . . 0 C5'--C4' 1.531 2.483 0 O4'-C1'-N19 110.73 3.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.535 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-N19 110.899 3.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.505 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.93 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.609 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O4'-C1'-N19 110.48 3.351 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.609 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.46 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 111.183 4.228 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 pttp . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.379 0.609 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.4 t -159.57 171.47 19.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.885 . . . . 0.0 109.409 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 16' ' ' TRP . 69.8 mt -143.29 161.85 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.548 ' N ' HG22 ' A' ' 15' ' ' ILE . 20.9 m95 -144.51 159.02 43.47 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.139 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.485 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 21.2 m -148.86 154.89 40.13 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.87 -1.144 . . . . 0.0 111.246 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -82.47 151.45 65.46 Favored Pre-proline 0 N--CA 1.489 1.477 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.027 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.04 -52.65 2.74 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.201 1.934 . . . . 0.0 112.85 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.422 ' CA ' HE21 ' A' ' 20' ' ' GLN . 0.0 OUTLIER -54.59 -30.99 56.09 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 111.04 -178.557 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -35.05 59.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.57 -1.331 . . . . 0.0 108.935 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 25' ' ' ALA . 67.9 mt -74.75 -60.36 2.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 110.221 -179.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -24.95 2.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -0.948 . . . . 0.0 109.033 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.97 -17.74 49.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -83.24 142.0 31.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.9 -1.125 . . . . 0.0 109.184 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.14 161.17 7.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.784 -1.198 . . . . 0.0 108.775 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.33 -19.81 7.96 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.457 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 29.1 mmt -92.0 148.54 37.12 Favored Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.155 -1.203 . . . . 0.0 109.682 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -35.94 -69.79 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.919 2.413 . . . . 0.0 113.46 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.27 4.01 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 108.856 -1.697 . . . . 0.0 108.856 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -144.58 136.36 25.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.415 -1.05 . . . . 0.0 108.277 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -47.71 -54.13 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.649 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.18 80.07 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.08 -1.012 . . . . 0.0 108.309 179.289 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.71 -38.7 73.6 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.734 -1.747 . . . . 0.0 108.734 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.04 -48.16 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.096 -1.238 . . . . 0.0 108.526 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.517 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 65.1 m-70 -62.69 -23.96 67.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.58 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.547 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 29.7 t80 -61.3 -74.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.341 -0.85 . . . . 0.0 109.051 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -55.62 -33.75 64.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 0.0 110.126 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -57.07 -49.55 75.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.947 -1.095 . . . . 0.0 110.84 -179.463 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 11.5 p30 -72.71 -42.57 64.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.987 -1.071 . . . . 0.0 109.524 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.3 -43.69 86.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.3 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.32 -43.09 11.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.422 -0.799 . . . . 0.0 109.707 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 94.63 58.5 1.19 Allowed Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -68.59 151.58 46.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.142 -1.211 . . . . 0.0 110.069 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -75.03 151.06 38.75 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.87 134.74 30.51 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 122.923 1.344 . . . . 0.0 112.606 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -99.34 126.04 45.12 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 55' ' ' GLY . 47.2 tttp -74.94 124.23 26.54 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.314 -0.866 . . . . 0.0 111.151 -178.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 59' ' ' GLU . 24.8 mtpp -71.95 173.07 8.87 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.513 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -131.61 -56.39 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.25 -0.906 . . . . 0.0 110.529 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.4 -9.23 35.79 Favored Glycine 0 N--CA 1.496 2.666 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.135 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -88.61 129.81 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 120.511 -1.582 . . . . 0.0 110.243 -179.2 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 55' ' ' GLY . 41.0 mttp -51.23 -175.93 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 121.937 0.875 . . . . 0.0 110.627 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 64.26 -35.87 0.09 OUTLIER Glycine 0 N--CA 1.488 2.103 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 178.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . 73.83 -27.2 0.93 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.5 mtpp -68.07 -10.76 56.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -1.147 . . . . 0.0 108.763 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.67 123.12 17.56 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.503 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.84 138.45 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.264 -0.897 . . . . 0.0 109.181 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 49' ' ' LYS . 43.2 mt-10 -92.27 167.98 11.64 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.184 -0.947 . . . . 0.0 108.594 179.227 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -119.16 147.42 44.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.5 -0.75 . . . . 0.0 108.996 179.055 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.27 120.09 21.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.396 -0.815 . . . . 0.0 110.989 -178.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 81.8 t -64.78 -29.77 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.335 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.7 mmt -74.08 -4.57 36.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.59 -0.694 . . . . 0.0 109.622 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.1 p -102.63 -6.26 22.94 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 mmt -71.54 152.7 93.81 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.646 -0.659 . . . . 0.0 109.537 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -44.42 142.81 4.2 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.515 1.476 . . . . 0.0 110.776 178.117 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.5 m -43.11 -60.93 1.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.311 -0.868 . . . . 0.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -52.85 -43.85 66.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -61.57 -35.24 77.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.888 -179.04 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -54.24 -59.66 4.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 109.335 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.07 -31.29 68.75 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -65.76 -53.41 40.84 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 119.442 -0.903 . . . . 0.0 108.636 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.53 -50.43 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.632 -0.667 . . . . 0.0 109.466 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.5 mt -53.89 -29.16 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.17 -41.91 27.36 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -64.08 -38.0 89.48 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.445 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 77' ' ' LEU . 36.2 mt -72.21 -36.64 69.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.45 43.83 9.09 Favored Glycine 0 N--CA 1.485 1.94 0 N-CA-C 106.478 -2.649 . . . . 0.0 106.478 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -85.68 -76.29 0.34 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.386 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 t 63.61 176.86 0.16 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.414 -0.804 . . . . 0.0 109.965 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.379 179.955 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.431 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.401 3.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.431 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 110.644 3.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.601 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.732 0 C3'-C2'-C1' 107.299 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.601 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.441 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.563 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.572 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.988 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.572 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.54 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.187 4.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.171 1 O4'-C1'-N19 111.289 4.362 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.584 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.574 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 1 O4'-C1'-N19 111.861 5.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.574 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.426 4.532 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.522 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.855 3.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.633 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.848 0 C3'-C2'-C1' 107.321 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.633 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O4'-C1'-N19 110.594 3.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.499 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C1'-N19 111.649 4.811 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.473 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.467 4.584 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.478 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.153 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.654 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.878 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.654 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 111.064 4.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.416 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.877 3.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.431 4.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.617 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.635 3.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.617 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.158 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.427 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.512 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.49 0 O4'-C1'-N19 110.539 3.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.512 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.939 0 O4'-C1'-N19 110.359 3.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.483 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.532 0 O4'-C1'-N19 110.351 3.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.432 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 29.0 t -160.22 175.2 13.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.326 -0.859 . . . . 0.0 109.672 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.534 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 66.2 mt -143.33 161.64 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.534 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 19.3 m95 -145.06 160.13 41.87 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.323 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 43.4 m -147.17 160.94 41.85 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.954 -1.091 . . . . 0.0 110.871 -178.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -78.74 145.43 66.67 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -41.22 -50.82 4.23 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.696 1.597 . . . . 0.0 112.658 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.635 ' NE2' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -61.6 -25.03 67.08 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.387 -0.82 . . . . 0.0 111.185 -178.305 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -74.61 -36.19 62.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.51 -1.369 . . . . 0.0 108.88 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.0 mt -73.64 -55.27 12.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 O-C-N 121.741 -0.599 . . . . 0.0 110.212 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' PRO . 8.5 ptt? -54.27 -21.69 9.84 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.16 -18.0 50.93 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.11 27.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.136 -0.978 . . . . 0.0 109.898 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 28' ' ' MET . 22.2 m-20 -65.91 159.62 25.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.95 -1.093 . . . . 0.0 108.779 179.113 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -27.05 1.48 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.486 ' H ' ' C ' ' A' ' 26' ' ' ASP . 11.7 mmt -94.8 140.37 22.52 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.594 -0.944 . . . . 0.0 109.382 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 28' ' ' MET . 89.3 Cg_exo -44.79 179.42 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.899 1.733 . . . . 0.0 112.568 179.307 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -124.96 35.13 3.21 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -146.08 143.61 29.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.546 -0.973 . . . . 0.0 108.872 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.635 HG22 ' NE2' ' A' ' 20' ' ' GLN . 5.5 t -53.7 -50.16 52.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.221 -0.924 . . . . 0.0 109.43 -179.824 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.32 80.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.116 -0.99 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.35 -39.21 28.29 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 179.25 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.89 -53.87 36.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.247 -1.149 . . . . 0.0 108.166 179.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 60.4 m-70 -55.16 -22.98 19.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.242 -0.911 . . . . 0.0 109.259 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.54 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 22.0 t80 -63.09 -76.48 0.06 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.322 -0.861 . . . . 0.0 108.906 179.298 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.593 HH21 HE22 ' A' ' 42' ' ' GLN . 53.6 mtp180 -53.78 -36.05 61.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -51.61 -49.38 62.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.16 -0.963 . . . . 0.0 110.403 -178.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 12.7 p30 -74.98 -43.1 55.92 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.079 -1.013 . . . . 0.0 109.739 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.34 -41.67 91.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 C-N-CA 119.416 -0.914 . . . . 0.0 109.339 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.593 HE22 HH21 ' A' ' 38' ' ' ARG . 71.4 mt-30 -87.18 -33.61 19.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.305 -0.872 . . . . 0.0 109.633 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ALA . . . 84.29 54.5 2.98 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.476 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.7 m0 -65.86 147.77 52.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.199 -1.177 . . . . 0.0 109.799 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.0 m -71.32 154.89 41.26 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 105.534 -2.025 . . . . 0.0 105.534 176.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -141.37 131.67 25.05 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.632 -1.293 . . . . 0.0 112.405 -177.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.83 134.15 47.62 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -73.18 128.18 34.75 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.315 -0.866 . . . . 0.0 110.7 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 50' ' ' GLU . 67.2 tttt -99.03 147.97 24.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.419 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 52' ' ' VAL . 6.2 mm-40 -129.38 -40.22 1.45 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -178.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -29.29 -39.26 0.02 OUTLIER Glycine 0 N--CA 1.504 3.177 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' GLU . 60.3 t -93.83 140.57 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.373 -1.075 . . . . 0.0 108.868 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -172.94 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.129 -0.982 . . . . 0.0 108.381 179.561 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 87.12 -37.87 3.18 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.51 -27.16 0.47 Allowed Glycine 0 N--CA 1.491 2.35 0 O-C-N 121.092 -1.24 . . . . 0.0 110.233 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 54' ' ' GLY . 23.5 mtpp -70.22 -17.87 63.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.969 -1.312 . . . . 0.0 109.357 -179.738 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.17 130.98 7.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.31 -0.869 . . . . 0.0 110.216 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 58' ' ' VAL . 7.4 p -146.36 126.84 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.905 . . . . 0.0 109.685 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -93.35 166.94 12.05 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.122 -0.986 . . . . 0.0 109.316 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -121.93 149.81 42.89 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' OD1' ' CE2' ' A' ' 16' ' ' TRP . 2.9 t70 -78.99 120.81 24.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 111.105 -177.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 53.8 t -64.61 -29.86 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.552 -0.717 . . . . 0.0 109.097 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.3 mmt -74.66 -7.22 52.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.52 -0.737 . . . . 0.0 110.486 -178.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.6 p -98.11 -7.31 29.84 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.476 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 23.1 mmt -73.14 151.3 90.25 Favored Pre-proline 0 N--CA 1.487 1.407 0 O-C-N 121.71 -0.619 . . . . 0.0 109.709 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.33 145.65 0.87 Allowed 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 121.577 1.518 . . . . 0.0 111.133 178.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.9 m -47.53 -57.57 5.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.985 -1.072 . . . . 0.0 109.358 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' OE2' ' A' ' 71' ' ' GLU . 63.4 mmtt -51.26 -46.2 62.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.203 -0.936 . . . . 0.0 109.002 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.94 -32.15 73.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.501 -0.75 . . . . 0.0 110.44 -178.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -56.98 -64.13 0.98 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.763 -1.211 . . . . 0.0 110.061 -179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 72' ' ' GLN . 2.4 pp20? -58.52 -27.28 64.37 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.132 -0.98 . . . . 0.0 108.357 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 9.0 tp-100 -66.65 -53.91 28.93 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.432 -0.907 . . . . 0.0 108.878 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.65 -49.03 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.519 -0.738 . . . . 0.0 109.84 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.659 ' CG2' ' H ' ' A' ' 80' ' ' SER . 68.7 mt -52.26 -39.83 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.909 -1.119 . . . . 0.0 108.224 179.705 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.58 -40.18 76.87 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.713 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -64.15 -38.69 91.98 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -71.02 -36.34 72.35 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . 85.36 35.89 11.52 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' HB2' HG23 ' A' ' 74' ' ' ILE . 16.5 mt -97.62 -84.23 0.38 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.563 -0.963 . . . . 0.0 109.403 -179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.659 ' H ' ' CG2' ' A' ' 74' ' ' ILE . 9.1 p 48.6 -151.57 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.825 . . . . 0.0 109.504 -179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.31 -179.927 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.39 3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.555 0 O4'-C1'-N19 110.451 3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.572 " H2'" ' H71' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.79 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.572 ' H71' " H2'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.193 4.242 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.676 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.493 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.528 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.894 0 O4'-C1'-N19 110.491 3.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.528 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.598 1 O4'-C1'-N19 111.08 4.1 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.55 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.97 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.561 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.628 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.561 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.622 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.079 4.099 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.622 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.557 4.697 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.59 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.69 3.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.568 3.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.663 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 C3'-C2'-C1' 107.141 3.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.663 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.094 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.551 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.806 5.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.551 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.952 3.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.354 4.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.527 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.977 0 O4'-C1'-N19 110.836 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.527 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.517 1 O4'-C1'-N19 111.066 4.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.437 H2'' " O5'" ' C' ' 129' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.55 4.867 0 O4'-C1'-N19 110.923 3.903 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.572 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.558 3.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.572 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 111.069 4.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.558 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.087 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.496 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.017 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.445 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.732 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . 0.442 " O5'" H2'' ' C' ' 134' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 pttt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -160.95 175.94 11.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.099 -1.001 . . . . 0.0 110.215 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 16' ' ' TRP . 75.1 mt -140.39 163.34 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.06 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.613 ' CD1' ' NH2' ' A' ' 47' ' ' ARG . 13.1 m95 -148.39 156.92 43.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.765 -0.584 . . . . 0.0 109.543 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.428 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 13.5 m -150.98 157.14 42.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.176 -0.953 . . . . 0.0 111.104 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -80.17 156.21 74.27 Favored Pre-proline 0 C--N 1.304 -1.408 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.34 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.55 -38.22 83.47 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 121.973 1.782 . . . . 0.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.09 -35.65 71.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.428 -0.795 . . . . 0.0 110.065 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -75.09 -38.52 61.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.836 -1.165 . . . . 0.0 108.67 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.56 -57.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.767 -0.583 . . . . 0.0 110.343 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -50.44 -25.73 4.27 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.07 -12.34 60.01 Favored 'General case' 0 C--N 1.297 -1.717 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.62 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.7 165.8 24.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.989 -1.069 . . . . 0.0 109.483 -179.672 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.532 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -66.04 -82.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.271 -0.893 . . . . 0.0 111.599 -179.054 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.515 ' H ' ' HG2' ' A' ' 72' ' ' GLN . . . -49.98 -4.22 0.04 OUTLIER Glycine 0 N--CA 1.496 2.677 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.532 ' H ' ' C ' ' A' ' 26' ' ' ASP . 16.5 mmt -97.28 143.31 25.93 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.032 -1.275 . . . . 0.0 110.786 -179.088 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' MET . 71.6 Cg_exo -45.67 177.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.413 0 C-N-CA 121.831 1.687 . . . . 0.0 112.017 178.447 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.95 30.65 5.42 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -146.78 140.84 26.13 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.313 -1.11 . . . . 0.0 109.173 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.2 t -55.88 -38.69 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.15 -0.969 . . . . 0.0 109.368 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.22 -43.03 71.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.781 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.16 -32.47 20.85 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.01 -58.91 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.11 -1.229 . . . . 0.0 108.876 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -53.36 -27.11 21.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.0 109.493 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 31.6 t80 -57.61 -76.11 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.669 HH21 HE22 ' A' ' 42' ' ' GLN . 52.7 mtp180 -47.71 -47.99 29.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -0.907 . . . . 0.0 109.895 179.279 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.65 -32.05 49.96 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.322 -0.861 . . . . 0.0 111.153 -178.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 1.2 p30 -77.1 -48.6 17.33 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.772 -1.205 . . . . 0.0 109.328 -179.144 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' ASN . 2.7 p -76.94 -32.47 19.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.985 -178.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.669 HE22 HH21 ' A' ' 38' ' ' ARG . 53.6 mt-30 -85.14 -25.26 27.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.936 -1.103 . . . . 0.0 109.494 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.5 54.02 8.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -66.96 145.67 55.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -1.157 . . . . 0.0 110.053 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.3 m -72.68 146.69 46.34 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -140.31 133.3 29.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.769 -1.207 . . . . 0.0 112.403 -178.239 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.613 ' NH2' ' CD1' ' A' ' 16' ' ' TRP . 17.6 ttm180 -98.6 125.43 43.86 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.364 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -74.23 122.58 23.05 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.3 -0.875 . . . . 0.0 110.683 -178.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -71.15 170.01 13.87 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.309 -0.87 . . . . 0.0 108.782 178.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -132.28 -57.82 0.95 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.232 -0.917 . . . . 0.0 110.976 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.39 -8.26 24.23 Favored Glycine 0 N--CA 1.496 2.655 0 O-C-N 121.346 -0.846 . . . . 0.0 112.283 -177.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 53' ' ' LYS . 93.6 t -90.31 132.34 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.536 -1.567 . . . . 0.0 110.459 -179.268 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLY . 35.3 mttp -54.44 -167.49 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.295 -0.878 . . . . 0.0 109.868 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 65.37 -37.79 0.12 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.098 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . 73.81 -33.11 0.88 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 54' ' ' GLY . 12.3 mttp -68.78 -13.38 62.36 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -1.092 . . . . 0.0 108.931 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.41 113.7 1.38 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 111.328 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' LYS . 30.2 m -133.46 136.32 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.8 169.42 10.16 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.851 -1.155 . . . . 0.0 108.893 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -122.32 146.87 46.91 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -78.1 112.24 14.84 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.24 -0.913 . . . . 0.0 111.049 -178.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.97 -27.79 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.57 -4.24 29.5 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.64 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.1 p -103.02 -18.66 14.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.25 -0.906 . . . . 0.0 109.298 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.48 159.21 85.68 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.029 . . . . 0.0 109.337 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -40.2 142.43 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.43 2.086 . . . . 0.0 112.024 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.6 m -47.81 -56.23 7.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.138 -0.976 . . . . 0.0 109.276 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -50.64 -45.22 57.67 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 108.91 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -64.3 -32.28 73.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.333 -0.854 . . . . 0.0 110.317 -179.109 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -54.81 -59.94 4.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.768 -1.207 . . . . 0.0 109.168 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.21 -29.17 69.66 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' HG2' ' H ' ' A' ' 27' ' ' GLY . 41.9 tp60 -65.14 -55.44 18.68 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 108.844 179.193 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.07 -48.52 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.731 -0.606 . . . . 0.0 109.618 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.675 HG23 ' H ' ' A' ' 80' ' ' SER . 13.6 mt -55.25 -32.68 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.3 -42.45 54.66 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.74 -36.18 80.26 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 178.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.6 mt -74.0 -38.9 63.96 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 87.66 34.49 10.15 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.403 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 mt -96.41 -85.54 0.34 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.316 -1.108 . . . . 0.0 109.073 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.675 ' H ' HG23 ' A' ' 74' ' ' ILE . 7.6 t 53.52 -166.87 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.333 -0.854 . . . . 0.0 109.816 179.533 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.535 -179.972 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.452 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.612 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.528 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.999 3.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.522 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.582 3.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.522 " O5'" H2'' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.876 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.48 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.932 0 O4'-C1'-N19 110.699 3.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.422 ' C2 ' ' N2 ' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 111.323 4.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.472 ' H21' ' HZ3' ' A' ' 56' ' ' LYS . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.964 5.205 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.303 4.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.541 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.462 ' C6 ' ' C6 ' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.824 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.457 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.481 4.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.527 H2'' " O5'" ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.316 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.527 " O5'" H2'' ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.458 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.793 0 O4'-C1'-N19 110.507 3.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.678 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.637 0 C3'-C2'-C1' 106.927 3.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.678 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.125 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.419 " O5'" H2'' ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-N19 111.805 5.006 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 111.528 4.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.164 4.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.591 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.317 4.396 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.591 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.741 1 O4'-C1'-N19 111.809 5.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.471 H2'' " O5'" ' C' ' 128' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.276 4.345 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . 0.471 " O5'" H2'' ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.209 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.624 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.876 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.624 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.877 1 O4'-C1'-N19 111.32 4.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.473 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.876 3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.538 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.538 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.805 3.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.474 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.271 4.339 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 0 O4'-C1'-N19 110.758 3.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 tttp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -163.54 172.93 13.7 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.338 -0.851 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 16' ' ' TRP . 74.7 mt -143.23 161.3 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.538 ' N ' HG22 ' A' ' 15' ' ' ILE . 17.4 m95 -145.54 156.15 43.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.502 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 62' ' ' VAL . 28.4 m -149.81 156.67 42.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.15 -0.969 . . . . 0.0 110.694 -179.084 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 m -81.28 148.54 63.53 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -40.93 -47.06 4.95 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.921 1.747 . . . . 0.0 112.491 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -56.93 -33.48 67.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.785 -178.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -74.52 -39.25 62.49 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.781 -1.199 . . . . 0.0 108.827 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.64 -54.57 13.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.48 -0.762 . . . . 0.0 110.2 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -46.96 -27.67 1.36 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.237 -0.914 . . . . 0.0 109.404 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.29 -9.28 59.79 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.733 -0.604 . . . . 0.0 110.23 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.45 147.71 28.58 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.784 -1.197 . . . . 0.0 109.73 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.14 153.57 33.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.282 -0.886 . . . . 0.0 108.986 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.83 52.1 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.422 ' HE1' ' OE1' ' A' ' 69' ' ' GLU . 21.4 mmt -91.73 148.38 37.07 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.071 -1.252 . . . . 0.0 110.419 -179.278 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.441 ' HD3' HH11 ' A' ' 38' ' ' ARG . 69.2 Cg_exo -37.76 -68.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 123.041 2.494 . . . . 0.0 113.17 179.462 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.5 17.73 2.59 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.255 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 5.8 p -146.38 142.11 27.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -1.044 . . . . 0.0 108.871 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.36 -52.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.991 -1.068 . . . . 0.0 109.059 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.62 88.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.166 -0.959 . . . . 0.0 108.844 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -50.74 -43.9 47.68 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 179.314 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.3 t -61.12 -49.84 83.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.041 -1.27 . . . . 0.0 108.078 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -56.66 -23.24 40.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 109.241 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 19.8 t80 -61.35 -77.24 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.342 -0.849 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' ' 69' ' ' GLU . 5.0 ptm180 -60.14 -30.46 69.31 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.748 -1.22 . . . . 0.0 110.656 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.76 43.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.745 -1.222 . . . . 0.0 111.627 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.533 ' OD1' ' O ' ' A' ' 37' ' ' TYR . 44.1 p-10 -73.58 -30.45 63.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.912 -1.117 . . . . 0.0 110.201 -178.709 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.528 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 73.2 t -76.07 -34.19 26.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.15 -0.969 . . . . 0.0 109.457 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.95 -35.22 19.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.214 -0.929 . . . . 0.0 109.797 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.78 51.22 1.69 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -66.57 141.61 57.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.443 -1.034 . . . . 0.0 109.485 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.2 m -74.22 115.13 13.37 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -105.22 136.94 43.81 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.274 1.035 . . . . 0.0 112.53 -178.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -104.0 136.53 43.47 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -70.61 132.03 44.85 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.112 -0.993 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -108.44 145.05 35.22 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.244 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' VAL . 18.3 mt-10 -130.27 -41.59 1.24 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.294 -0.878 . . . . 0.0 110.396 -178.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -31.74 -35.34 0.02 OUTLIER Glycine 0 N--CA 1.503 3.13 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' GLU . 10.9 t -91.3 143.59 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.317 -1.107 . . . . 0.0 108.993 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 52' ' ' VAL . 34.3 mttp -52.19 -171.64 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.83 0.824 . . . . 0.0 110.643 -179.572 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.34 -45.3 0.61 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.37 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.88 -22.81 2.75 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 -179.523 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 54' ' ' GLY . 20.0 mtpp -69.21 -11.22 60.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.353 -1.086 . . . . 0.0 108.851 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 137.86 58.19 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.657 0.742 . . . . 0.0 110.642 -178.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -144.74 138.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -94.38 168.85 10.62 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.991 -1.068 . . . . 0.0 109.319 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -122.16 145.3 48.32 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -77.92 113.48 15.86 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.93 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' CG2' ' SG ' ' A' ' 17' ' ' CYS . 47.6 t -60.67 -22.31 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.452 -0.78 . . . . 0.0 109.14 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mmt -77.18 -2.2 33.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.423 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.35 -17.02 14.58 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.33 -0.856 . . . . 0.0 108.903 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 mtm -72.33 148.23 90.8 Favored Pre-proline 0 N--CA 1.487 1.376 0 O-C-N 121.067 -1.021 . . . . 0.0 109.445 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -36.5 138.8 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.279 0 C-N-CA 122.609 2.206 . . . . 0.0 112.121 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -42.38 -56.88 2.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.433 -0.792 . . . . 0.0 109.987 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -52.97 -48.14 67.63 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.274 -0.892 . . . . 0.0 109.193 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 47.4 mt-10 -58.56 -39.93 81.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.815 -179.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -53.07 -43.38 66.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 108.871 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -60.41 -41.84 94.74 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.779 -0.576 . . . . 0.0 109.68 -179.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -64.33 -44.75 90.53 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 118.825 -1.15 . . . . 0.0 108.89 -179.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.7 t -70.41 -51.47 37.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.469 HG23 ' H ' ' A' ' 80' ' ' SER . 30.7 mt -54.82 -41.53 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 0.0 108.892 179.574 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.16 -41.12 62.01 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.808 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -61.25 -37.31 82.65 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.07 -46.07 53.74 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.39 30.93 5.73 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 179.338 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 80' ' ' SER . 6.4 mp -92.03 -92.14 0.16 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.857 -1.378 . . . . 0.0 108.111 179.061 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER 165.21 166.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.702 0.763 . . . . 0.0 109.766 179.766 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 117.976 -1.012 . . . . 0.0 109.627 179.877 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.557 H2'' " O5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.557 " O5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.066 4.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.495 H2'' " O5'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.94 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.659 " H2'" ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.659 ' H72' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.441 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.569 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.581 1 O4'-C1'-N19 111.117 4.147 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.569 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.554 " O5'" H2'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.5 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 1 O4'-C1'-N19 111.134 4.167 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.512 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.225 4.281 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.512 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.846 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.62 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 111.329 4.411 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.62 " O5'" H2'' ' B' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.863 5.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.516 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.405 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.541 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.682 3.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.659 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 C3'-C2'-C1' 106.883 2.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.659 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.733 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.512 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.97 5.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.512 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.326 1 O4'-C1'-N19 111.345 4.431 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.594 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.963 3.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.594 " O5'" H2'' ' C' ' 124' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.415 4.518 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.489 H2'' " O5'" ' C' ' 127' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.786 1 O4'-C1'-N19 111.243 4.304 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.489 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.15 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.256 4.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.598 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.644 3.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.598 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.988 0 O4'-C1'-N19 110.975 3.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.512 " O5'" H2'' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.517 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.709 0 C3'-C2'-C1' 107.163 3.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.517 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.501 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.502 4.627 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.902 3.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -160.28 172.89 16.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.251 -0.905 . . . . 0.0 109.559 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 16' ' ' TRP . 65.3 mt -142.48 161.99 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.427 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.532 ' N ' HG22 ' A' ' 15' ' ' ILE . 19.9 m95 -146.75 153.47 40.26 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.272 0.558 . . . . 0.0 109.498 -179.242 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' C ' ' A' ' 16' ' ' TRP . 11.6 m -149.34 154.82 39.55 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.278 -0.889 . . . . 0.0 111.018 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 m -83.41 147.86 54.07 Favored Pre-proline 0 N--CA 1.49 1.536 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -40.6 -42.21 3.96 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.113 1.875 . . . . 0.0 112.822 179.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -56.0 -35.71 67.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.366 -0.834 . . . . 0.0 110.271 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -77.98 -38.16 45.73 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.018 -1.051 . . . . 0.0 108.843 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.6 mt -75.38 -54.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.662 -0.649 . . . . 0.0 110.023 -179.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -52.62 -27.88 18.95 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.246 -0.909 . . . . 0.0 108.947 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.73 59.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.647 -0.658 . . . . 0.0 109.403 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.01 149.1 29.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.085 -1.01 . . . . 0.0 109.895 -179.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.95 152.48 43.15 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.11 -0.994 . . . . 0.0 109.329 179.635 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.46 -27.17 3.75 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' PRO . 24.6 mmt -93.86 139.25 22.62 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.609 -0.936 . . . . 0.0 109.589 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.435 ' O ' ' O ' ' A' ' 28' ' ' MET . 85.8 Cg_exo -42.78 172.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.839 1.692 . . . . 0.0 112.109 178.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.7 35.89 3.9 Favored Glycine 0 N--CA 1.498 2.814 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -147.24 142.37 27.15 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.406 -1.055 . . . . 0.0 109.128 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.05 -50.34 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.07 -1.019 . . . . 0.0 109.237 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.66 86.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.95 -1.093 . . . . 0.0 108.955 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -36.89 28.65 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.071 -1.611 . . . . 0.0 109.071 179.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -66.15 -56.68 13.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.122 -1.222 . . . . 0.0 108.528 179.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.533 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 78.6 m-70 -49.42 -28.29 5.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.165 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.526 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 14.2 t80 -59.61 -75.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.577 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -53.95 -31.73 51.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.38 -0.825 . . . . 0.0 109.795 179.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.9 -52.94 63.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 110.899 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 9.9 p30 -73.6 -42.58 61.34 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.165 -0.959 . . . . 0.0 109.882 -179.15 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.24 -42.67 80.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.605 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -88.77 -37.98 15.04 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.254 -0.904 . . . . 0.0 110.079 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.29 52.69 1.56 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.503 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 41.6 m0 -65.88 144.86 56.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -1.082 . . . . 0.0 110.063 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.2 m -73.34 147.01 44.81 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 177.021 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -139.1 130.53 27.06 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 122.546 1.165 . . . . 0.0 111.313 -178.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -101.07 118.81 37.74 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -70.88 116.89 11.71 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.294 -0.963 . . . . 0.0 110.397 -178.18 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 57' ' ' ALA . 20.2 tttt -94.48 149.5 21.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 52' ' ' VAL . 41.9 mt-10 -126.02 -41.01 1.97 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.252 -0.905 . . . . 0.0 110.166 -178.761 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' GLU . . . -30.34 -35.94 0.01 OUTLIER Glycine 0 N--CA 1.502 3.07 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -178.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLU . 16.8 t -89.12 146.69 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.123 -1.222 . . . . 0.0 108.981 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' A' ' 55' ' ' GLY . 17.7 mttp -54.43 -171.43 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.824 0.821 . . . . 0.0 110.162 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 70.53 -32.84 0.46 Allowed Glycine 0 N--CA 1.482 1.736 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 178.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 57' ' ' ALA . . . 70.15 -36.17 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 -179.573 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 54' ' ' GLY . 19.1 mttt -61.5 -1.13 0.49 Allowed 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.247 -1.149 . . . . 0.0 108.884 179.648 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . -61.38 110.69 1.51 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 110.874 -178.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 58' ' ' VAL . 10.8 m -140.04 126.76 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.318 -0.864 . . . . 0.0 108.818 178.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 26.3 mp0 -97.63 168.3 10.43 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.257 -0.902 . . . . 0.0 110.499 -179.163 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -112.96 148.5 34.9 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.638 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -78.28 120.96 23.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 111.068 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.21 -25.29 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 121.706 0.765 . . . . 0.0 109.109 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.3 mmt -74.8 -4.85 40.14 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.742 -0.599 . . . . 0.0 110.231 -178.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.44 -7.87 20.61 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.07 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.503 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 20.0 mmt -73.21 150.83 89.96 Favored Pre-proline 0 C--N 1.304 -1.406 0 O-C-N 121.462 -0.773 . . . . 0.0 110.073 -179.217 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.31 144.69 1.08 Allowed 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 121.543 1.495 . . . . 0.0 110.885 177.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.443 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 61.4 m -47.4 -58.81 3.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.83 -1.169 . . . . 0.0 109.772 -179.64 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -50.18 -44.13 52.7 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 0.0 109.208 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -62.87 -36.07 82.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 0.0 110.285 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' HE ' ' HA ' ' A' ' 67' ' ' THR . 16.2 mtm180 -54.47 -57.54 10.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.925 -1.11 . . . . 0.0 109.865 -179.12 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.79 -38.07 86.7 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.73 -49.31 73.54 Favored 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.208 -0.997 . . . . 0.0 108.769 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.68 -51.67 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.499 -0.75 . . . . 0.0 109.04 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 80' ' ' SER . 32.8 mt -53.89 -31.24 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.49 -43.31 23.42 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.9 -38.24 87.64 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.65 -36.61 73.49 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.75 26.77 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.16 -81.83 0.31 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.437 -1.037 . . . . 0.0 109.503 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 15.3 m -154.61 -150.72 0.33 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.271 -0.893 . . . . 0.0 110.274 -179.756 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.542 -179.592 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.677 ' H6 ' " O5'" ' B' ' 102' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.369 3.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.54 H2'' " O5'" ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.91 1 O4'-C1'-N19 111.074 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.54 " O5'" H2'' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.683 0 O4'-C1'-N19 110.639 3.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.626 " H2'" ' H72' ' B' ' 106' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.626 ' H72' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.614 H2'' " O5'" ' B' ' 108' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.065 4.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.614 " O5'" H2'' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.736 0 O4'-C1'-N19 110.54 3.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.528 ' C2 ' ' N2 ' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.561 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.95 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.651 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.707 4.884 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.651 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.909 3.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 113' ' ' ' DA' . . . . . 0.513 H2'' " O5'" ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.793 1 O4'-C1'-N19 111.929 5.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 114' ' ' ' DT' . . . . . 0.523 H2'' " O5'" ' B' ' 115' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.166 1 O4'-C1'-N19 111.654 4.818 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 115' ' ' ' DC' . . . . . 0.523 " O5'" H2'' ' B' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.288 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.581 H2'' " O5'" ' B' ' 117' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.87 1 O4'-C1'-N19 111.484 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 117' ' ' ' DG' . . . . . 0.581 " O5'" H2'' ' B' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.122 0 O4'-C1'-N19 110.911 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.646 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.728 0 C3'-C2'-C1' 106.954 3.038 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.646 " O5'" H2'' ' C' ' 120' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.251 4.314 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.456 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.869 1 O4'-C1'-N19 111.794 4.992 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.456 " O5'" H2'' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.164 1 O4'-C1'-N19 111.64 4.8 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 124' ' ' ' DT' . . . . . 0.499 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.116 1 O4'-C1'-N19 111.151 4.189 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.562 H2'' " O5'" ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.057 1 O4'-C1'-N19 111.623 4.778 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.562 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.626 4.782 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 127' ' ' ' DC' . . . . . 0.441 " O5'" H2'' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.333 1 O4'-C1'-N19 111.265 4.331 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.024 4.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 129' ' ' ' DG' . . . . . 0.721 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.943 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.721 " O5'" H2'' ' C' ' 129' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.46 H2'' " O5'" ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.127 0 O4'-C1'-N19 110.526 3.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 132' ' ' ' DA' . . . . . 0.577 H2'' " O5'" ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.5 0 O4'-C1'-N19 110.686 3.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 133' ' ' ' DA' . . . . . 0.577 " O5'" H2'' ' C' ' 132' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.342 4.427 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 134' ' ' ' DG' . . . . . 0.469 " O5'" H2'' ' C' ' 133' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.774 1 O4'-C1'-N19 111.126 4.157 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 135' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.392 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_