data_1ig4_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 1ig4 _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 ' 5' ' ' TRP . . . . . 0.426 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 19.0 m95 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.197 0.522 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -111.42 154.2 25.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.014 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -58.07 170.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.273 -0.892 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.4 t -150.15 87.75 4.91 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.65 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -71.14 -5.26 16.6 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.983 1.517 . . . . 0.0 111.579 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 62' ' ' PHE . . . -58.82 -14.78 9.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 110.898 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 3.3 mp -127.32 -68.95 0.77 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.021 -1.05 . . . . 0.0 110.398 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.96 -166.22 32.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.78 138.69 26.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.803 1.423 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.73 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 109.25 -35.09 5.13 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 36.9 m95 -62.4 145.92 52.72 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.349 -1.089 . . . . 0.0 111.418 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -139.53 132.53 29.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.667 -0.645 . . . . 0.0 109.598 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -115.21 152.94 31.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.263 -0.898 . . . . 0.0 110.522 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 11.7 ttp180 -140.03 160.15 40.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.854 . . . . 0.0 110.229 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.96 143.14 45.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 109.922 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.3 t -132.34 101.55 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.208 -0.932 . . . . 0.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' ARG . 3.2 t80 -84.7 50.04 1.83 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.259 -0.901 . . . . 0.0 110.217 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.536 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 48.59 -179.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.707 0.765 . . . . 0.0 111.07 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.4 tmmt? -139.17 -38.4 0.49 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.528 -0.732 . . . . 0.0 109.923 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER 167.7 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.441 -0.787 . . . . 0.0 110.764 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.57 -91.1 1.01 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.81 -41.92 0.17 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.948 0.88 . . . . 0.0 109.057 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.434 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 42.4 p -77.8 -0.16 26.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.865 -0.522 . . . . 0.0 110.036 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 38.0 t -45.06 138.78 3.55 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 111.731 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 -14.08 49.94 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.497 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -87.41 150.0 24.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.047 -1.267 . . . . 0.0 110.207 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.6 p -110.97 118.06 35.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 110.485 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -116.16 127.92 55.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.436 -0.79 . . . . 0.0 110.055 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.3 m -99.77 124.3 44.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 110.409 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 86.3 m-85 -113.49 142.64 45.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.443 -0.786 . . . . 0.0 109.402 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.416 ' OH ' ' CD2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -139.74 139.85 36.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.056 -1.028 . . . . 0.0 110.63 -179.355 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 45.3 tt0 -99.62 152.43 20.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.425 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.498 ' OG ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -54.15 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.586 -0.696 . . . . 0.0 110.493 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.73 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.3 Cg_endo -86.05 -9.22 7.51 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.481 1.253 . . . . 0.0 111.225 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -161.09 14.9 0.1 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.808 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.49 80.98 0.04 OUTLIER Glycine 0 N--CA 1.495 2.591 0 C-N-CA 118.723 -1.703 . . . . 0.0 112.227 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.74 128.79 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.486 -1.008 . . . . 0.0 109.628 177.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -97.85 105.37 17.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.219 -0.925 . . . . 0.0 110.568 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.493 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.3 mp -106.21 135.55 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.331 -0.856 . . . . 0.0 109.322 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.46 -3.34 15.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.867 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -154.97 -165.19 1.97 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -179.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' N ' ' OG ' ' A' ' 45' ' ' SER . 8.4 ttpt -78.95 -42.8 26.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.514 -0.741 . . . . 0.0 109.086 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.1 t -56.58 -54.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 0.0 108.729 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -50.57 -39.02 48.37 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.616 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD12 ' CH2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -67.98 -42.71 80.4 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.8 m -65.79 -15.77 63.18 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.745 -0.597 . . . . 0.0 109.882 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 15.1 mmt180 -77.77 -62.37 1.69 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.867 . . . . 0.0 110.185 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -58.44 -21.93 52.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 110.251 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.1 mt -94.56 -15.84 23.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.49 153.35 18.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.32 -29.7 20.8 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 123.7 1.369 . . . . 0.0 110.199 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.23 -21.61 58.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.416 -0.803 . . . . 0.0 109.98 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.57 66.33 7.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 166.25 2.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.6 mt -139.48 64.6 1.46 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.37 -0.831 . . . . 0.0 110.046 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 -20.99 60.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.321 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.0 mt -95.1 13.5 25.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.253 -0.904 . . . . 0.0 110.671 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.437 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 43.2 t80 -98.45 130.1 45.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 110.054 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.19 120.33 29.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.47 -0.769 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' ' OH ' ' A' ' 35' ' ' TYR . 13.7 t80 -72.75 -26.27 61.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.004 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.13 -12.07 39.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.0 110.926 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -123.07 -40.51 2.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.119 -0.988 . . . . 0.0 110.632 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.5 56.59 2.78 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 pt -154.62 150.55 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.424 -1.045 . . . . 0.0 110.496 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 10.4 mt . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.504 -0.748 . . . . 0.0 109.589 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 34.8 m95 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.185 0.517 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -107.69 160.53 15.64 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.471 -0.768 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.92 158.66 32.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 46.1 t -136.84 82.97 30.3 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.85 -5.36 16.72 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 O-C-N 124.115 1.587 . . . . 0.0 112.513 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 69' ' ' LEU . . . -55.38 -53.66 53.46 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.778 -1.201 . . . . 0.0 110.184 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 0.9 OUTLIER -81.9 -67.96 0.74 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.359 -0.838 . . . . 0.0 110.772 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.52 -159.81 23.16 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.253 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 38' ' ' PRO . 47.9 Cg_endo -73.66 136.99 24.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.973 1.512 . . . . 0.0 111.112 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.718 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 105.29 -34.58 5.68 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.505 ' NE1' ' HD3' ' A' ' 38' ' ' PRO . 41.8 m95 -60.16 143.12 53.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.542 -0.975 . . . . 0.0 111.05 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.03 148.2 41.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.464 -0.773 . . . . 0.0 109.66 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.93 147.5 52.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.902 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -135.08 147.23 49.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.478 -0.764 . . . . 0.0 109.624 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.9 146.14 27.73 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.918 . . . . 0.0 110.37 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 34' ' ' TYR . 22.0 t -132.31 96.15 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.817 . . . . 0.0 110.017 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 -83.05 45.32 1.0 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.367 -0.833 . . . . 0.0 110.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.75 168.31 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 111.083 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' SER . 3.1 tppt? -134.79 -30.81 1.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.0 110.338 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 164.28 -165.86 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.413 -0.804 . . . . 0.0 110.788 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.46 -66.51 0.46 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -176.38 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.631 -0.923 . . . . 0.0 108.554 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.452 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 18.1 p -78.45 -1.48 33.83 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.543 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.5 t -39.64 131.32 1.78 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.659 -0.65 . . . . 0.0 111.793 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.68 -15.97 23.97 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 120.123 -1.037 . . . . 0.0 110.681 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 31.6 mtt180 -83.76 151.74 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.998 -1.295 . . . . 0.0 110.566 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 49.2 p -119.38 106.31 12.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.34 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 45.7 m-20 -109.31 127.65 54.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.473 -0.767 . . . . 0.0 110.193 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.436 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 6.6 m -99.23 121.93 41.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.434 -0.791 . . . . 0.0 110.034 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 45.6 m-85 -106.42 144.97 32.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -135.56 160.07 39.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.153 -0.967 . . . . 0.0 110.473 -179.585 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -125.87 148.94 49.03 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.476 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -53.47 -175.58 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.63 -0.669 . . . . 0.0 109.309 179.399 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.718 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 43.2 Cg_endo -75.6 -13.22 20.27 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 N-CA-C 109.538 -0.985 . . . . 0.0 109.538 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 38' ' ' PRO . 13.2 t -179.2 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.01 -115.6 2.42 Favored Glycine 0 N--CA 1.489 2.194 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.047 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -116.69 -153.32 0.52 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.592 -0.946 . . . . 0.0 110.464 -178.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.03 116.17 31.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 110.906 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 48' ' ' GLU . 23.2 mt -99.54 155.16 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.427 ' N ' HG23 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -124.21 -10.46 7.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.106 -0.996 . . . . 0.0 111.562 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -152.63 -166.08 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.781 -1.2 . . . . 0.0 111.021 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -77.21 -47.53 19.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.2 t -54.29 -52.7 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 108.779 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.486 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 3.0 mt-10 -53.18 -32.94 50.46 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.437 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -72.18 -48.68 41.42 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.171 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.1 m -59.03 -21.12 58.58 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.763 -0.586 . . . . 0.0 109.697 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -73.48 -59.53 2.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.41 -0.806 . . . . 0.0 110.023 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 6.8 t80 -59.73 -24.57 64.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.339 -0.851 . . . . 0.0 110.17 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.5 mt -86.36 -21.45 27.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.04 156.69 14.37 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -16.47 33.34 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.826 1.435 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.01 14.76 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.47 63.72 0.96 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' O ' HD21 ' A' ' 59' ' ' LEU . 2.6 p-10 -51.32 174.3 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.462 -0.774 . . . . 0.0 110.747 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 58' ' ' ASP . 32.7 mt -151.78 62.77 0.86 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.562 -0.711 . . . . 0.0 109.674 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -76.97 -0.08 23.05 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.357 -0.839 . . . . 0.0 111.203 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.88 -26.16 11.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.013 -1.054 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 64' ' ' PHE . 39.1 t80 -59.77 123.06 15.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.174 -0.954 . . . . 0.0 109.488 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' LYS . 7.3 m-20 -85.15 7.99 19.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.359 -0.838 . . . . 0.0 111.7 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 64.3 t80 57.43 -76.91 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.289 -0.882 . . . . 0.0 110.743 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -57.23 -53.8 54.0 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.125 -0.984 . . . . 0.0 110.834 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -63.55 -32.9 74.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 110.522 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.67 45.48 58.62 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.412 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.2 pt -153.14 157.43 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.386 -1.067 . . . . 0.0 110.445 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 9.1 mt . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.481 -0.762 . . . . 0.0 109.59 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.444 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 27.1 m95 . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 121.093 0.473 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -137.55 160.1 40.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 110.215 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 165.01 7.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.291 -0.881 . . . . 0.0 109.925 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 47.5 t -148.2 84.8 6.61 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 110.436 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -73.99 -7.03 19.43 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 O-C-N 123.791 1.417 . . . . 0.0 111.08 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' O ' ' CD1' ' A' ' 69' ' ' LEU . . . -55.86 -19.63 12.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.231 -0.918 . . . . 0.0 111.21 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.458 HD22 ' CH2' ' A' ' 15' ' ' TRP . 2.9 mp -126.53 -66.84 0.89 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.944 -1.097 . . . . 0.0 110.684 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.99 -165.44 29.96 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.57 133.75 19.35 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.849 1.447 . . . . 0.0 110.703 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.719 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 111.88 -32.66 6.22 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 85.7 m95 -62.89 147.02 51.48 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.406 -1.055 . . . . 0.0 111.435 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 5.4 mmtt -137.87 154.08 49.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.683 -0.636 . . . . 0.0 109.407 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.15 137.85 49.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.992 . . . . 0.0 110.752 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 4.7 tpm_? -140.12 133.53 29.98 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.61 -0.681 . . . . 0.0 109.478 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -99.59 137.08 38.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 0.0 110.248 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 31' ' ' SER . 9.8 t -116.04 104.98 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.523 -0.736 . . . . 0.0 109.93 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -86.09 37.9 0.74 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.091 -1.005 . . . . 0.0 110.512 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.607 ' HG3' ' HB2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER 51.54 162.34 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.732 0.777 . . . . 0.0 111.399 179.537 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -128.27 -34.63 2.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 110.378 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 p 166.39 -170.29 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.368 -0.832 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.15 -58.03 0.45 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 177.94 -38.76 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.581 -0.952 . . . . 0.0 108.456 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.494 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 33.4 p -85.42 9.02 16.83 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.1 t -49.2 132.84 19.58 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.423 -0.798 . . . . 0.0 111.452 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.75 -7.16 55.26 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.665 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.607 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.8 mpt_? -91.45 128.66 37.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.283 . . . . 0.0 109.539 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 9.0 p -99.64 124.07 44.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.006 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.01 129.72 51.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.539 -0.725 . . . . 0.0 109.66 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.433 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 31.2 m -98.48 118.61 35.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.243 -0.91 . . . . 0.0 110.238 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CE1' HG21 ' A' ' 20' ' ' VAL . 55.2 m-85 -101.85 153.23 20.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.624 -0.673 . . . . 0.0 110.02 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -139.7 144.02 37.34 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.242 -0.911 . . . . 0.0 110.25 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -109.33 142.19 40.58 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.498 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . 9.5 p -54.99 -175.47 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.801 . . . . 0.0 110.092 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.719 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 45.9 Cg_endo -83.63 -7.79 10.52 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.386 1.203 . . . . 0.0 111.705 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -168.2 47.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 118.05 -1.46 . . . . 0.0 112.796 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 113.64 89.52 1.75 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 119.537 -1.316 . . . . 0.0 111.944 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER 165.09 108.73 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.83 -0.806 . . . . 0.0 109.123 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 116.0 19.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.298 -0.876 . . . . 0.0 110.888 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.457 HD11 HD12 ' A' ' 49' ' ' LEU . 28.0 mt -112.94 148.98 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.489 -0.757 . . . . 0.0 109.128 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -135.85 4.22 3.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.216 -0.927 . . . . 0.0 111.583 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.34 -162.7 0.76 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.829 -1.17 . . . . 0.0 111.054 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -47.96 28.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.455 -0.778 . . . . 0.0 109.669 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 51' ' ' ARG . 15.3 t -54.56 -54.25 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.471 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 6.9 mm-40 -51.68 -42.47 62.19 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.384 -0.823 . . . . 0.0 109.233 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.477 HD12 ' CZ3' ' A' ' 15' ' ' TRP . 5.6 tp -66.23 -46.32 77.61 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -61.12 -16.72 47.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.821 -0.549 . . . . 0.0 110.215 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mmt180 -78.53 -62.12 1.79 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.919 . . . . 0.0 110.486 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.4 t80 -53.14 -28.36 25.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.178 -0.951 . . . . 0.0 110.093 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD13 HD12 ' A' ' 59' ' ' LEU . 3.2 mt -92.05 -22.82 19.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.49 155.37 16.02 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.41 -27.21 19.52 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 O-C-N 123.897 1.472 . . . . 0.0 110.378 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.0 -21.01 55.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.152 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.91 74.38 4.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.189 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.65 160.19 7.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.328 -0.858 . . . . 0.0 110.183 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.442 HD12 HD13 ' A' ' 53' ' ' LEU . 65.3 mt -132.48 43.6 2.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -25.78 34.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.37 -0.831 . . . . 0.0 110.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.25 -24.47 37.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.414 -0.804 . . . . 0.0 110.212 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 67.8 t80 -68.21 118.36 11.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.027 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 1.9 m-20 -85.39 111.56 20.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 109.892 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 36.1 t80 -50.0 -43.36 50.54 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.354 -0.841 . . . . 0.0 110.889 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -55.1 6.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.102 -0.999 . . . . 0.0 111.052 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.412 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 14.6 mt-30 -64.76 -50.95 64.84 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.963 . . . . 0.0 110.622 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.2 52.28 3.47 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.946 -1.662 . . . . 0.0 108.946 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -156.8 155.28 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.563 -0.963 . . . . 0.0 110.093 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 7.0 mt . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.783 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.422 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 82.9 m95 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.271 0.557 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt -135.25 160.6 37.87 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.105 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.77 152.97 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.292 -0.88 . . . . 0.0 110.427 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.4 t -142.73 84.69 10.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.829 . . . . 0.0 109.607 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -72.0 -8.16 22.4 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 124.012 1.533 . . . . 0.0 111.881 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.21 -60.62 3.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.023 -1.048 . . . . 0.0 110.652 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.498 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.7 mp -79.74 -59.93 2.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.43 -0.794 . . . . 0.0 110.691 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.16 -161.14 32.07 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.27 147.92 38.09 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.847 1.446 . . . . 0.0 110.875 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.782 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 98.67 -32.07 7.43 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.506 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 63.7 m95 -65.32 146.31 55.09 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.412 -1.052 . . . . 0.0 111.447 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -140.24 149.94 43.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.649 -0.657 . . . . 0.0 109.596 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -126.36 122.89 36.69 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.171 -0.956 . . . . 0.0 110.682 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.74 138.33 50.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.385 -0.822 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.15 147.8 25.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.887 . . . . 0.0 110.269 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 21' ' ' PHE . 41.3 t -126.62 157.83 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.404 -0.81 . . . . 0.0 109.833 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' N ' HG13 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -135.38 40.17 2.84 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.198 -0.938 . . . . 0.0 110.106 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.537 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.22 175.08 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.598 0.714 . . . . 0.0 111.315 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -140.48 -41.36 0.41 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.418 -0.801 . . . . 0.0 110.343 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.53 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 45.5 t 174.48 -166.96 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.378 -0.826 . . . . 0.0 110.962 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.6 -74.04 0.41 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.35 -43.88 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.493 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 40.0 p -76.35 -1.96 29.39 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.215 0.531 . . . . 0.0 109.742 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 19.3 t -41.3 137.0 1.52 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 111.88 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.43 -9.74 60.97 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.346 -1.101 . . . . 0.0 110.346 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 10.8 mtp85 -91.54 134.88 34.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.123 -1.221 . . . . 0.0 109.925 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 94.7 p -99.8 130.81 46.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.861 . . . . 0.0 110.479 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.6 m-20 -123.47 134.84 53.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.776 . . . . 0.0 109.991 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.415 HG21 ' CE2' ' A' ' 35' ' ' TYR . 26.1 m -99.64 123.52 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CD1' HG23 ' A' ' 20' ' ' VAL . 69.0 m-85 -110.49 157.75 19.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.447 -0.783 . . . . 0.0 109.565 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -140.3 145.17 36.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.966 . . . . 0.0 110.751 -179.522 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -110.11 141.29 43.19 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.1 p -54.6 -177.75 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.221 -0.924 . . . . 0.0 110.263 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.782 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -84.95 -7.81 9.24 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.476 1.251 . . . . 0.0 111.671 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 t -165.91 46.76 0.08 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 118.357 -1.337 . . . . 0.0 112.295 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 106.39 91.0 2.2 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.993 -1.099 . . . . 0.0 111.653 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.48 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 165.69 113.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.477 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.56 126.74 31.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 111.351 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.407 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 37.9 mm -117.82 149.21 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.11 -21.55 5.41 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.014 -1.054 . . . . 0.0 111.407 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -155.42 -155.57 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.976 -1.078 . . . . 0.0 110.61 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -75.22 -46.15 35.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 110.261 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 3.0 t -54.53 -61.07 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.06 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 3.0 tp10 -49.5 -36.15 22.14 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 7.8 tp -65.69 -42.39 91.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.0 m -65.9 -20.88 66.38 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 19.9 mmt85 -68.68 -55.94 9.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.277 -0.889 . . . . 0.0 109.567 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.7 t80 -56.78 -34.89 68.08 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.41 -22.87 40.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.572 -0.705 . . . . 0.0 110.185 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.4 154.88 11.08 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.1 -21.97 31.16 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.881 1.464 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.21 -19.37 36.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.408 -0.808 . . . . 0.0 110.114 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.5 t -88.61 132.22 34.64 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.257 -0.902 . . . . 0.0 110.069 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 173.67 6.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.326 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 mt -148.39 49.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 109.335 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -65.46 -13.24 58.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.623 -0.673 . . . . 0.0 111.102 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.4 mt -97.38 -10.38 25.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.152 -0.968 . . . . 0.0 110.775 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 64' ' ' PHE . 35.6 t80 -76.79 121.98 24.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.13 -0.981 . . . . 0.0 109.274 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -90.35 18.53 6.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.206 -0.934 . . . . 0.0 111.252 -179.005 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 82.9 t80 55.63 -81.44 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.375 -0.828 . . . . 0.0 110.851 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -57.31 -52.77 64.0 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.222 -0.924 . . . . 0.0 110.665 -179.791 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -53.75 -38.83 64.78 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.199 -0.938 . . . . 0.0 110.41 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.04 24.2 64.61 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 pp -136.68 154.62 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.23 -1.159 . . . . 0.0 110.136 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.716 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.444 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 30.1 m95 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.134 0.493 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -108.6 160.22 16.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.31 -0.869 . . . . 0.0 110.108 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.64 178.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.263 -0.898 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.1 t -152.21 88.59 4.07 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.413 -0.805 . . . . 0.0 109.947 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -72.81 -6.6 19.31 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 O-C-N 123.995 1.523 . . . . 0.0 111.639 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB3' ' CA ' ' A' ' 68' ' ' ILE . . . -52.72 -37.26 58.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.231 -0.918 . . . . 0.0 110.939 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 4.4 mp -111.89 -63.25 1.45 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.857 . . . . 0.0 110.787 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.24 -160.17 24.09 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.74 145.98 37.57 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.888 1.467 . . . . 0.0 110.724 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.771 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 100.74 -36.93 3.83 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 77.4 m95 -60.76 147.75 41.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.415 -1.05 . . . . 0.0 110.868 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -140.17 151.7 45.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.717 . . . . 0.0 109.794 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -132.93 142.97 49.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 0.0 110.595 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 7.2 ttt180 -133.33 141.72 48.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.588 -0.695 . . . . 0.0 109.386 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.53 129.03 45.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 110.015 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.82 99.86 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.467 -0.771 . . . . 0.0 110.348 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -82.36 49.94 1.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.232 -0.918 . . . . 0.0 109.954 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 49.16 -179.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.367 -0.833 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.0 ttpt -140.89 -36.53 0.46 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.435 -0.79 . . . . 0.0 109.868 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 167.97 -168.16 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.455 -0.778 . . . . 0.0 110.772 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.96 -91.88 1.0 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.5 -43.08 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.598 -0.942 . . . . 0.0 108.975 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.431 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 44.4 p -75.31 -1.49 23.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.893 -0.505 . . . . 0.0 109.947 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.535 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -42.8 140.37 1.36 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.533 -0.73 . . . . 0.0 111.876 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 -17.03 49.65 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 57.0 mtp85 -82.18 149.76 27.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -1.183 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 p -113.51 103.31 11.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 110.218 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.444 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 95.1 m-20 -99.91 124.41 45.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 110.058 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.436 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 94.4 m -99.25 112.4 24.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 0.0 110.057 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 86.1 m-85 -100.46 151.64 21.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.504 -0.747 . . . . 0.0 109.699 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -140.07 154.0 46.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.182 -0.949 . . . . 0.0 110.287 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -115.32 149.92 37.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.498 -0.751 . . . . 0.0 109.3 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.559 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 6.3 m -55.37 -178.22 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.39 -0.819 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.771 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.8 Cg_endo -85.93 1.81 7.8 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.301 1.158 . . . . 0.0 112.864 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 t -167.06 16.8 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.625 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 137.86 83.58 0.12 Allowed Glycine 0 N--CA 1.497 2.723 0 C-N-CA 118.592 -1.766 . . . . 0.0 112.2 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.559 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 4.4 t0 169.05 121.17 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.765 -0.844 . . . . 0.0 108.94 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 137.8 37.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.808 . . . . 0.0 110.875 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 48' ' ' GLU . 47.1 mt -136.16 146.34 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.53 -0.731 . . . . 0.0 109.178 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.95 1.69 3.95 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.112 -0.992 . . . . 0.0 111.383 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.7 m -161.23 -165.87 1.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.849 -1.157 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.11 -47.19 29.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.178 -0.951 . . . . 0.0 109.947 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 3.2 t -52.94 -52.21 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 0.0 108.95 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 5.0 mm-40 -52.11 -40.05 60.74 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.485 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 3.1 tp -64.6 -40.3 95.27 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.3 m -67.49 -22.51 65.46 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.503 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.0 mtp180 -68.41 -58.57 4.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.231 -0.918 . . . . 0.0 109.848 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 13.1 t80 -57.82 -29.93 65.32 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.293 -0.879 . . . . 0.0 109.986 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.2 mt -85.53 -14.62 45.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.416 -0.803 . . . . 0.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.48 153.86 16.79 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.01 -15.4 32.42 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 O-C-N 123.77 1.405 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.38 -17.3 29.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 110.207 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -90.09 121.33 32.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.299 -0.875 . . . . 0.0 110.139 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.49 160.34 15.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 110.209 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.8 mt -139.27 55.5 1.69 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.435 -0.791 . . . . 0.0 110.016 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -12.03 61.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.813 . . . . 0.0 110.559 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt -96.22 -23.63 16.62 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -59.19 144.74 45.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.221 -0.924 . . . . 0.0 110.178 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.57 110.46 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.434 -0.792 . . . . 0.0 110.06 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -56.12 -23.93 37.47 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.374 -0.829 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -61.55 1.66 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.0 110.591 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.39 -52.33 47.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.299 -0.875 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.04 47.5 1.88 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.411 ' CA ' ' HB3' ' A' ' 10' ' ' ALA . 8.4 pt -147.1 150.47 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.489 -1.006 . . . . 0.0 110.055 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 109.918 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 4.9 m95 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.205 0.526 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.57 147.07 25.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.368 -0.832 . . . . 0.0 109.813 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -49.69 167.87 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.39 -0.819 . . . . 0.0 110.785 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.3 t -144.1 85.29 9.02 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 121.471 -0.768 . . . . 0.0 109.649 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.57 -8.67 24.15 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 O-C-N 123.872 1.459 . . . . 0.0 111.282 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . . . -60.79 -15.07 25.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.241 -0.912 . . . . 0.0 110.852 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.436 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -127.53 -67.64 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.017 -1.052 . . . . 0.0 110.668 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.57 -169.56 39.46 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 119.657 -1.259 . . . . 0.0 110.188 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.68 109.31 2.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.903 1.475 . . . . 0.0 110.752 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.757 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.19 -38.03 1.58 Allowed Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.542 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 78.4 m95 -65.29 140.75 58.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.54 -0.977 . . . . 0.0 111.304 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -132.1 149.11 52.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.735 -0.603 . . . . 0.0 109.404 179.338 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.26 142.38 47.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.258 -0.901 . . . . 0.0 110.573 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 34.1 ttp85 -137.57 132.27 32.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.604 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.55 136.99 38.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.211 -0.931 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 34' ' ' TYR . 22.3 t -120.5 100.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 109.978 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 22' ' ' ARG . 42.3 t80 -81.92 41.78 0.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.37 163.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.428 -0.795 . . . . 0.0 111.127 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.1 mmtt -129.63 -33.84 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 167.03 -165.59 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.293 -0.879 . . . . 0.0 110.799 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -69.42 0.47 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -172.41 -39.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.655 -0.909 . . . . 0.0 108.554 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.444 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 22.1 p -80.19 -0.18 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.626 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.548 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 10.0 t -42.58 133.9 3.27 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.597 -0.689 . . . . 0.0 111.738 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.02 -12.52 37.69 Favored Glycine 0 N--CA 1.493 2.488 0 C-N-CA 119.975 -1.107 . . . . 0.0 110.65 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 82.7 mtt180 -88.51 150.73 22.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.958 -1.319 . . . . 0.0 110.122 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 46.8 p -114.51 101.47 9.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.6 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.76 124.82 45.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.421 -0.799 . . . . 0.0 109.879 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 ' CE2' ' A' ' 35' ' ' TYR . 31.0 m -98.91 126.01 44.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 54.7 m-85 -110.61 158.14 18.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.554 -0.716 . . . . 0.0 109.722 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.487 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -140.28 145.73 37.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 110.566 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 62.9 tt0 -107.33 147.22 30.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 109.357 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -54.15 -176.47 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.533 -0.729 . . . . 0.0 110.43 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.757 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.6 Cg_endo -85.08 -10.29 8.13 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 O-C-N 123.588 1.309 . . . . 0.0 110.462 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -164.94 19.75 0.05 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 118.641 -1.223 . . . . 0.0 112.58 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.88 85.23 0.11 Allowed Glycine 0 N--CA 1.496 2.696 0 C-N-CA 118.966 -1.588 . . . . 0.0 112.117 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.22 116.12 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.511 -0.993 . . . . 0.0 109.167 178.078 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 120.74 24.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.303 -0.873 . . . . 0.0 111.28 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.432 HG13 ' CH2' ' A' ' 15' ' ' TRP . 42.7 mm -119.4 151.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.07 -18.07 4.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.032 -1.043 . . . . 0.0 111.629 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.48 -160.24 1.13 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.944 -1.098 . . . . 0.0 111.134 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -44.59 34.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.497 -0.752 . . . . 0.0 109.965 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 7.5 t -58.92 -58.7 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.0 109.174 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 4.0 tt0 -49.85 -39.01 37.7 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.445 -0.785 . . . . 0.0 109.212 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.526 ' CD1' ' CH2' ' A' ' 15' ' ' TRP . 64.4 tp -66.21 -42.12 89.19 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.0 m -66.4 -15.19 63.11 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.769 -0.582 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 5.1 mtp180 -78.29 -59.85 2.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 0.0 110.376 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 3.8 t80 -59.72 -23.73 63.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.322 -0.861 . . . . 0.0 110.283 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 49' ' ' LEU . 33.1 mt -88.89 3.75 50.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.596 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.14 154.62 30.06 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.01 -21.67 20.46 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.747 1.393 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.16 12.18 18.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.292 -0.88 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 t -121.72 67.59 0.91 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.154 -0.966 . . . . 0.0 110.097 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.07 170.47 2.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.346 -0.846 . . . . 0.0 110.272 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.5 mt -138.85 50.27 1.85 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.998 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -23.08 30.51 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.354 -0.841 . . . . 0.0 110.58 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -96.41 16.47 18.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.572 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 23.6 t80 -107.53 114.65 28.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.25 -0.906 . . . . 0.0 109.821 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.92 128.54 33.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.314 -0.866 . . . . 0.0 109.68 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.22 -57.2 9.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -58.28 -49.41 77.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.343 -0.848 . . . . 0.0 110.755 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.41 -51.92 18.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.305 -0.872 . . . . 0.0 110.371 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.45 44.33 7.46 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -146.69 155.34 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.414 -1.05 . . . . 0.0 110.316 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 7.8 mt . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.9 m95 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.308 0.575 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -108.49 160.25 16.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 0.0 109.897 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 166.04 3.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 51.9 t -143.96 87.33 8.07 Favored Pre-proline 0 N--CA 1.487 1.421 0 O-C-N 121.566 -0.709 . . . . 0.0 109.257 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.56 -2.48 10.82 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 O-C-N 124.106 1.582 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -58.96 -14.43 9.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.009 -1.057 . . . . 0.0 110.879 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 4.6 mp -130.23 -69.59 0.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.103 -0.998 . . . . 0.0 110.633 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.35 -164.75 28.37 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.52 139.75 28.92 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 O-C-N 123.879 1.463 . . . . 0.0 110.715 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.727 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 108.29 -37.48 3.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.499 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 57.0 m95 -59.25 137.84 57.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.549 -0.971 . . . . 0.0 111.344 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 140.78 46.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.596 -0.69 . . . . 0.0 109.224 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -123.38 148.02 46.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.175 -0.953 . . . . 0.0 111.003 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 33' ' ' THR . 17.0 ttt180 -135.91 143.39 44.94 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 109.911 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.27 129.61 46.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 110.236 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t -115.11 95.08 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.817 . . . . 0.0 109.975 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -79.86 51.35 1.31 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.315 -0.866 . . . . 0.0 110.54 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.547 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 49.7 173.54 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.932 0.872 . . . . 0.0 111.404 179.38 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.5 ttmm -126.87 -41.11 1.84 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.52 -0.737 . . . . 0.0 109.145 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.8 p 163.7 -177.59 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.775 -0.578 . . . . 0.0 110.498 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.59 -96.56 0.84 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.37 -46.91 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.615 -0.932 . . . . 0.0 108.839 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.463 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 76.0 p -74.09 -5.64 42.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.934 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.547 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 28.1 p -40.47 144.92 0.2 Allowed 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.414 0.626 . . . . 0.0 111.947 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.46 -19.52 52.29 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -78.67 152.8 31.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -1.2 . . . . 0.0 110.309 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 t -118.2 105.28 11.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.405 -0.809 . . . . 0.0 110.209 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.474 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.4 m-20 -99.32 123.83 43.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.448 -0.783 . . . . 0.0 109.789 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 2.0 m -98.99 113.81 26.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.397 -0.814 . . . . 0.0 110.424 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 91.2 m-85 -107.37 143.03 36.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.565 -0.709 . . . . 0.0 109.498 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.422 ' OH ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.1 149.14 42.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.171 -0.955 . . . . 0.0 110.391 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -104.88 153.87 20.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.465 -0.772 . . . . 0.0 109.666 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.541 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 4.1 p -56.06 -175.1 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.508 -0.745 . . . . 0.0 110.249 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.727 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -82.91 -8.82 11.0 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.597 1.314 . . . . 0.0 111.269 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -168.58 22.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.19 -1.404 . . . . 0.0 113.12 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.84 77.22 0.03 OUTLIER Glycine 0 N--CA 1.498 2.774 0 C-N-CA 118.659 -1.734 . . . . 0.0 112.302 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.541 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.51 106.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.505 -0.997 . . . . 0.0 109.42 177.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -80.16 125.44 29.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.753 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.4 mp -112.79 145.58 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 109.537 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -119.08 3.45 11.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.407 -0.808 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.516 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -169.64 -165.66 0.52 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.169 -0.957 . . . . 0.0 110.393 -179.335 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 45' ' ' SER . 5.7 ttpt -78.57 -40.8 33.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.387 -0.821 . . . . 0.0 108.796 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 39.7 t -58.74 -52.29 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.34 -0.85 . . . . 0.0 108.844 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 4.9 mm-40 -51.34 -37.85 49.99 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 2.4 tp -67.37 -44.94 77.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.1 m -63.42 -17.23 62.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.753 -0.592 . . . . 0.0 110.105 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 8.1 mtt-85 -76.83 -60.66 2.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 110.454 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 3.5 t80 -58.88 -21.07 56.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.324 -0.86 . . . . 0.0 110.373 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.3 mt -92.24 -18.24 23.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.39 156.65 18.63 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.55 -19.25 32.58 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.877 1.461 . . . . 0.0 110.454 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.08 14.03 17.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.878 . . . . 0.0 110.305 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.5 m -120.47 67.98 0.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 110.026 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.71 159.4 5.26 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.331 -0.856 . . . . 0.0 110.352 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.7 mt -140.66 50.36 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.481 -0.762 . . . . 0.0 110.106 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -27.37 69.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.225 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mt -77.67 -19.07 55.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.383 -0.823 . . . . 0.0 110.484 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 34.1 t80 -68.84 147.11 52.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 110.278 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.27 117.74 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.412 -0.805 . . . . 0.0 110.165 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 51.7 t80 -58.07 -30.37 66.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.45 -0.781 . . . . 0.0 110.262 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -90.35 -63.88 1.21 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.482 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -60.37 -35.92 76.85 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.325 -0.859 . . . . 0.0 110.581 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.63 42.79 31.47 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -145.19 159.78 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.429 -1.042 . . . . 0.0 110.201 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.476 -0.765 . . . . 0.0 110.046 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 25.3 m95 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.138 0.494 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 mt -102.6 160.59 14.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.375 -0.828 . . . . 0.0 110.188 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.3 175.81 1.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.185 -0.947 . . . . 0.0 110.422 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.92 87.33 5.45 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.437 -0.79 . . . . 0.0 109.572 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -72.89 -5.69 17.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.903 1.475 . . . . 0.0 111.685 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' ' CA ' ' A' ' 68' ' ' ILE . . . -52.24 -63.97 0.97 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.202 -0.936 . . . . 0.0 110.917 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 2.8 mp -79.68 -57.74 3.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.387 -0.82 . . . . 0.0 110.472 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 -171.56 44.22 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.33 97.78 1.05 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.9 1.474 . . . . 0.0 110.708 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.798 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 162.5 -31.23 0.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 60.4 m95 -75.08 158.94 32.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.516 -0.991 . . . . 0.0 111.817 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 22.3 mmtt -138.84 149.82 45.34 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.46 145.14 47.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.164 -0.96 . . . . 0.0 110.762 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.457 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -140.13 134.89 31.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.698 -0.627 . . . . 0.0 109.412 179.355 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.5 122.89 43.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.195 -0.941 . . . . 0.0 110.16 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 34' ' ' TYR . 16.5 t -108.64 96.87 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.534 -0.729 . . . . 0.0 110.406 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.1 t80 -84.9 42.97 0.96 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.327 -0.858 . . . . 0.0 109.951 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.549 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.83 165.06 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.643 0.735 . . . . 0.0 111.033 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -131.8 -33.63 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.013 . . . . 0.0 110.481 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 3.0 t 169.94 -173.38 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.365 -0.834 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.504 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 105.76 -95.01 1.03 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.22 -41.75 0.23 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.43 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 39.8 p -76.71 -1.03 25.87 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.905 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.549 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.3 p -44.23 135.02 4.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.544 -0.723 . . . . 0.0 111.661 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.51 -12.77 36.06 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.024 -1.084 . . . . 0.0 110.581 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 12.4 mtt180 -89.28 150.31 22.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.026 -1.279 . . . . 0.0 110.369 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 79.9 p -116.91 105.98 12.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -110.01 128.47 55.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 109.983 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 35' ' ' TYR . 29.9 m -99.54 122.47 42.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 0.0 110.187 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.46 ' CD1' HG21 ' A' ' 20' ' ' VAL . 42.2 m-85 -105.1 158.83 16.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.439 -0.788 . . . . 0.0 109.467 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 33' ' ' THR . 0.4 OUTLIER -140.27 143.8 36.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.111 -0.993 . . . . 0.0 110.975 -179.23 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.449 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -99.77 145.44 27.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.15 178.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.538 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -53.25 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.54 -0.725 . . . . 0.0 110.906 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.798 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.3 Cg_endo -81.86 -8.73 12.16 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.538 1.283 . . . . 0.0 111.431 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -159.96 -7.21 0.06 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.196 -1.402 . . . . 0.0 113.206 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.61 82.01 0.04 OUTLIER Glycine 0 N--CA 1.497 2.713 0 C-N-CA 118.53 -1.795 . . . . 0.0 111.978 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.538 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 t70 172.89 118.48 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.597 -0.943 . . . . 0.0 108.927 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.51 136.35 36.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.26 -0.9 . . . . 0.0 110.883 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.423 ' CG1' ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -128.5 160.31 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.427 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -140.6 3.68 1.9 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -163.58 -169.36 1.91 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.871 -1.143 . . . . 0.0 110.594 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -79.92 -45.96 17.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 109.471 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.8 t -55.13 -45.94 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -54.12 -37.07 63.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.138 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.488 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -69.51 -47.71 62.94 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.325 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -58.53 -21.67 53.01 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.187 0.518 . . . . 0.0 110.028 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.46 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.4 mtt180 -74.53 -55.46 5.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 110.204 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.495 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -66.12 -12.8 58.1 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.459 -0.776 . . . . 0.0 110.771 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.9 mt -104.2 -1.22 27.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 110.875 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.17 154.12 23.21 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.39 -24.45 26.78 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.759 1.4 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.24 21.93 9.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.306 -0.871 . . . . 0.0 110.126 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -116.12 62.97 0.7 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 0.0 110.077 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 160.38 7.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.52 67.62 1.4 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.471 -0.768 . . . . 0.0 110.076 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -8.87 57.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.505 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mt -99.25 -19.34 17.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.947 . . . . 0.0 110.569 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -73.9 129.84 38.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.321 -0.862 . . . . 0.0 110.111 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.8 t0 -92.67 122.77 35.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.07 -59.04 6.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.367 -0.833 . . . . 0.0 110.329 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.2 -58.11 9.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.389 -0.819 . . . . 0.0 111.074 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.435 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 27.3 mt-30 -66.04 -55.94 14.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.163 -0.961 . . . . 0.0 110.569 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.78 50.92 2.77 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.428 ' CA ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 pt -147.45 157.67 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.408 -1.054 . . . . 0.0 110.261 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 109.901 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.434 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 23.0 m95 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.228 0.537 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.66 160.56 16.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.853 . . . . 0.0 110.147 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -72.35 173.27 8.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.209 -0.932 . . . . 0.0 110.393 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.18 89.14 4.61 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.42 -0.8 . . . . 0.0 109.685 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -72.34 -4.95 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 O-C-N 123.992 1.522 . . . . 0.0 111.616 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . . . -59.63 -16.01 23.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.069 -1.02 . . . . 0.0 110.991 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' CD2' ' CZ2' ' A' ' 15' ' ' TRP . 0.9 OUTLIER -126.5 -69.3 0.77 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.985 -1.072 . . . . 0.0 110.417 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.22 -162.4 27.93 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.11 141.49 32.77 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.829 1.436 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.8 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 106.21 -30.42 9.65 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 50.8 m95 -66.86 140.72 57.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.44 -1.035 . . . . 0.0 111.664 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -140.13 147.64 40.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.764 -0.585 . . . . 0.0 109.441 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HG3' ' CD2' ' A' ' 35' ' ' TYR . 60.2 ttp180 -125.38 150.37 47.29 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 110.586 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 45.3 ttp85 -140.11 140.77 36.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.541 -0.724 . . . . 0.0 109.579 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.91 137.73 37.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 34' ' ' TYR . 24.6 t -121.57 98.04 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.892 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.3 m-85 -80.1 46.16 0.79 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.163 -0.961 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.556 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.82 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.259 -0.9 . . . . 0.0 111.086 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -131.71 -33.42 1.41 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 0.0 110.638 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 167.58 -165.65 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.275 -0.89 . . . . 0.0 110.944 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.87 -73.84 0.47 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.88 -40.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.454 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 24.0 p -77.63 -1.47 31.07 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.606 178.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.556 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 11.9 t -41.47 133.33 2.57 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.575 -0.703 . . . . 0.0 111.721 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.47 -15.4 29.8 Favored Glycine 0 N--CA 1.493 2.493 0 C-N-CA 120.011 -1.09 . . . . 0.0 110.751 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.424 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 80.0 mtt180 -83.96 166.41 17.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.313 . . . . 0.0 110.301 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.1 p -127.0 103.19 7.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.428 -0.795 . . . . 0.0 110.624 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.8 m-20 -99.98 122.17 42.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.496 -0.753 . . . . 0.0 109.786 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.409 HG22 ' CE2' ' A' ' 35' ' ' TYR . 90.7 m -99.01 120.96 40.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 110.078 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.435 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 73.2 m-85 -106.6 160.43 15.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.506 -0.746 . . . . 0.0 109.713 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -138.85 150.53 46.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.028 -1.045 . . . . 0.0 110.865 -179.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.95 138.42 50.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.56 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 4.3 m -53.26 176.31 0.1 Allowed Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 110.288 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.8 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.2 Cg_endo -82.39 0.23 9.85 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.308 1.162 . . . . 0.0 112.259 -178.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -165.39 20.28 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.872 -1.531 . . . . 0.0 113.024 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.47 80.04 0.17 Allowed Glycine 0 N--CA 1.495 2.594 0 C-N-CA 118.925 -1.607 . . . . 0.0 112.337 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.56 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 178.06 116.8 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.485 -1.009 . . . . 0.0 109.519 177.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -79.86 137.93 37.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.387 -0.821 . . . . 0.0 110.712 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' A' ' 48' ' ' GLU . 28.3 mt -140.18 150.92 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.509 -0.744 . . . . 0.0 109.413 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.69 -2.74 6.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 111.353 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 m -159.15 -166.73 1.9 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.137 . . . . 0.0 110.429 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -77.08 -47.16 21.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.223 -0.923 . . . . 0.0 110.058 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 3.8 t -51.8 -49.38 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 108.785 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -51.57 -36.18 44.31 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.264 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.491 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -67.14 -44.29 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.035 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.6 m -63.3 -17.51 62.61 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.089 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 15.2 mtp180 -77.84 -63.93 1.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.279 -0.888 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 4.1 t80 -57.93 -27.38 63.32 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.306 -0.871 . . . . 0.0 110.23 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.5 mt -83.42 1.8 39.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.393 -0.817 . . . . 0.0 110.439 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.52 154.29 30.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -75.12 -3.87 14.55 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.722 1.38 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.54 -11.71 19.06 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.59 -166.09 0.05 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.027 -1.046 . . . . 0.0 110.244 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.55 129.84 1.04 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.7 mt -133.71 43.44 2.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.386 -0.821 . . . . 0.0 109.817 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -21.22 59.88 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.481 -0.762 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.36 -20.1 20.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.4 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 27.6 t80 -61.22 135.57 57.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.232 -0.918 . . . . 0.0 110.217 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.9 t70 -101.63 135.9 42.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.478 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 63.7 t80 -74.97 -66.66 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 110.848 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -28.93 23.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 111.26 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.428 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 41.2 mt-30 -96.3 -47.98 5.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.176 -0.952 . . . . 0.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.99 47.7 6.08 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -145.46 159.64 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.311 -1.111 . . . . 0.0 110.184 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 110.063 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.428 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 24.1 m95 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.252 0.548 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 148.47 26.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.411 -0.805 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.17 159.9 1.75 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 110.642 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.84 80.73 48.45 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.502 -0.749 . . . . 0.0 109.564 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -70.47 -5.21 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 O-C-N 123.961 1.506 . . . . 0.0 111.371 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -15.65 11.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.244 -0.91 . . . . 0.0 111.027 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.1 mp -126.9 -69.1 0.77 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.001 -1.062 . . . . 0.0 110.614 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.28 -178.77 38.7 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.55 91.6 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.858 1.452 . . . . 0.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.772 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 164.31 -31.08 0.25 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.509 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 78.2 m95 -72.68 143.74 47.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.485 -1.009 . . . . 0.0 111.469 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -130.97 153.34 49.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.2 148.68 52.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 110.569 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -139.92 160.19 40.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.21 -0.931 . . . . 0.0 110.173 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.15 131.18 55.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.377 -0.827 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -118.37 95.26 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -83.52 42.41 0.83 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.498 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.568 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.37 169.66 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.357 -0.84 . . . . 0.0 111.172 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.2 tppt? -137.76 -32.32 0.75 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.121 -0.987 . . . . 0.0 110.698 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.499 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 6.2 t 169.13 -170.76 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.441 -0.787 . . . . 0.0 110.677 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 104.0 -76.43 0.27 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.16 -40.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.96 . . . . 0.0 108.581 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.433 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 29.9 p -78.5 0.94 24.04 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.539 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.21 135.27 3.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.612 -0.68 . . . . 0.0 111.798 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 -14.21 39.57 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.702 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 54.3 mtt180 -86.03 143.58 28.03 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.029 -1.277 . . . . 0.0 110.278 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 56.7 p -113.17 102.07 10.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.438 -0.789 . . . . 0.0 110.46 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.35 131.35 51.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.772 . . . . 0.0 109.957 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.411 ' O ' ' CE1' ' A' ' 35' ' ' TYR . 24.8 m -99.28 121.73 41.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.463 ' CD1' HG21 ' A' ' 20' ' ' VAL . 33.5 m-85 -103.08 157.96 16.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.889 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -140.2 155.12 47.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.214 -0.929 . . . . 0.0 110.264 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 29.2 tt0 -115.21 148.73 38.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.846 . . . . 0.0 109.453 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.573 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -54.28 -174.9 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.501 -0.749 . . . . 0.0 110.465 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.772 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 51.4 Cg_endo -81.5 -20.49 6.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 O-C-N 123.483 1.254 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -156.53 15.06 0.3 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.386 -1.325 . . . . 0.0 113.061 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 151.78 83.13 0.04 OUTLIER Glycine 0 N--CA 1.497 2.753 0 C-N-CA 118.492 -1.813 . . . . 0.0 112.426 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.573 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.27 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.68 -0.894 . . . . 0.0 109.202 177.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 118.44 35.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.26 -0.9 . . . . 0.0 111.205 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG12 ' CH2' ' A' ' 15' ' ' TRP . 1.2 mp -108.47 148.91 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -132.71 1.91 3.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 111.13 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.44 -165.73 0.8 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.891 -1.13 . . . . 0.0 110.967 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.37 -52.31 19.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.287 -0.883 . . . . 0.0 109.531 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.403 ' O ' ' CG ' ' A' ' 51' ' ' ARG . 5.7 t -52.24 -57.79 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.592 -0.693 . . . . 0.0 109.378 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -47.99 -46.86 33.15 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.672 0.749 . . . . 0.0 109.62 179.082 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 ' CZ3' ' A' ' 15' ' ' TRP . 61.5 tp -63.73 -47.13 82.33 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.726 0.774 . . . . 0.0 109.002 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -61.2 -15.47 34.54 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.691 -0.631 . . . . 0.0 110.324 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.4 mtt180 -79.68 -62.68 1.61 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.117 -0.989 . . . . 0.0 110.73 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 17.6 t80 -53.15 -27.95 23.63 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.216 -0.927 . . . . 0.0 110.56 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD13 ' HG ' ' A' ' 49' ' ' LEU . 16.4 mt -80.63 -6.65 58.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.372 -0.83 . . . . 0.0 110.826 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.94 156.95 28.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.61 -20.79 26.4 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.959 1.505 . . . . 0.0 110.394 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.66 25.97 4.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 m -127.88 115.24 18.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.54 161.6 13.97 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.34 -0.85 . . . . 0.0 110.213 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.414 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 29.1 mt -134.63 68.41 1.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -13.64 62.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.326 -0.859 . . . . 0.0 110.605 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.5 mt -109.61 16.79 21.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.214 -0.929 . . . . 0.0 110.633 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.441 ' CZ ' HD23 ' A' ' 49' ' ' LEU . 92.4 t80 -99.66 114.31 27.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.21 -0.931 . . . . 0.0 110.297 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.16 112.31 20.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.359 -0.838 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.81 -55.67 18.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 56.97 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.543 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -176.81 -55.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.348 -0.845 . . . . 0.0 110.128 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.83 52.07 3.8 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.401 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 1.2 pp -159.0 154.45 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.332 -1.099 . . . . 0.0 110.493 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.412 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.45 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 36.0 m95 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.221 0.534 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.43 160.86 19.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.389 -0.82 . . . . 0.0 110.199 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.26 179.68 0.93 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.224 -0.922 . . . . 0.0 110.225 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB3' ' CB ' ' A' ' 15' ' ' TRP . 50.8 t -153.6 88.27 3.67 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.409 -0.807 . . . . 0.0 109.813 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -73.2 -5.27 16.88 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.887 1.467 . . . . 0.0 111.67 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . . . -57.61 -19.2 24.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.016 . . . . 0.0 111.167 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 HD13 ' CE2' ' A' ' 15' ' ' TRP . 1.2 mt -134.75 -61.93 0.75 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.066 -1.021 . . . . 0.0 110.462 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.09 -174.95 31.57 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -83.04 23.26 0.83 Allowed 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.685 1.361 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.769 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . -113.33 -24.23 4.84 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.532 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 47.9 m95 -75.97 155.26 35.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.417 -1.049 . . . . 0.0 111.776 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 4.6 tptt -137.68 143.75 41.46 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -120.68 135.27 55.17 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.1 -1.0 . . . . 0.0 110.987 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 40.9 ttp85 -130.47 133.87 46.63 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.57 145.9 27.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.107 -0.996 . . . . 0.0 110.413 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 32' ' ' ASP . 13.7 t -130.69 106.06 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.497 -0.752 . . . . 0.0 110.08 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.6 t80 -83.58 50.19 1.74 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.132 -0.98 . . . . 0.0 110.372 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 48.66 -179.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 111.126 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 24' ' ' SER . 0.0 OUTLIER -143.35 -42.06 0.29 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.343 -0.848 . . . . 0.0 110.225 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.528 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 54.8 p 177.15 -163.43 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.29 -0.881 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.0 -91.5 1.31 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.62 -41.98 0.14 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.927 0.87 . . . . 0.0 108.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.429 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 40.9 p -76.4 -1.61 27.82 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.171 0.51 . . . . 0.0 109.967 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.558 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 41.7 t -43.97 139.22 2.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.457 -0.777 . . . . 0.0 111.835 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.41 -13.8 54.55 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.662 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 55.9 mtt180 -88.93 157.03 18.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.268 . . . . 0.0 110.454 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -112.16 129.13 56.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.401 -0.812 . . . . 0.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.458 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.5 m-20 -119.98 126.15 50.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.423 -0.798 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 35' ' ' TYR . 3.1 m -99.52 112.11 24.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -0.799 . . . . 0.0 110.335 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 87.9 m-85 -107.88 146.19 32.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.589 -0.694 . . . . 0.0 109.297 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.418 ' CE1' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -140.07 151.76 45.64 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.964 -1.085 . . . . 0.0 110.658 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.369 -0.832 . . . . 0.0 109.829 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.487 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -53.63 -176.39 0.03 OUTLIER Pre-proline 0 N--CA 1.496 1.875 0 O-C-N 121.731 -0.606 . . . . 0.0 110.478 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.769 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.0 Cg_endo -80.47 -24.38 5.34 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 123.499 1.263 . . . . 0.0 111.19 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.0 t -149.88 5.86 0.6 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.359 -1.336 . . . . 0.0 113.145 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.05 82.65 0.04 OUTLIER Glycine 0 N--CA 1.496 2.684 0 C-N-CA 118.42 -1.848 . . . . 0.0 112.073 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.37 127.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.411 -1.052 . . . . 0.0 110.275 178.039 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 119.78 24.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.436 -0.79 . . . . 0.0 109.881 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' CH2' ' A' ' 15' ' ' TRP . 45.9 mm -122.3 154.3 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.829 . . . . 0.0 109.752 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -134.96 -15.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 111.589 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.424 ' HA ' ' CE1' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -145.1 -161.77 1.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.936 -1.102 . . . . 0.0 110.941 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' N ' ' OG ' ' A' ' 45' ' ' SER . 11.1 ttpt -78.97 -40.9 30.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 9.9 t -60.84 -59.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.391 -0.818 . . . . 0.0 109.291 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 2.9 tp10 -48.59 -37.28 17.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.43 -0.794 . . . . 0.0 109.304 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' CD1' ' CH2' ' A' ' 15' ' ' TRP . 3.3 tp -71.08 -47.82 56.11 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.3 m -56.05 -28.35 57.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.449 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.8 mtt180 -64.54 -55.74 18.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.407 -0.808 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.513 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 10.5 t80 -54.34 -25.15 22.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -0.821 . . . . 0.0 109.771 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD1' HD12 ' A' ' 49' ' ' LEU . 16.1 mt -88.92 -18.31 27.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.517 -0.739 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.8 156.15 8.84 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.15 -11.54 31.88 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.827 1.435 . . . . 0.0 110.627 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.89 26.69 9.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 109.987 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.1 m -115.21 77.97 1.12 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.26 166.83 20.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.852 . . . . 0.0 110.11 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.486 HD12 ' HG ' ' A' ' 49' ' ' LEU . 58.0 mt -143.91 65.69 1.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.819 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -17.89 54.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -0.788 . . . . 0.0 110.565 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.47 -34.08 17.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.639 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 36.3 t80 -63.68 119.34 9.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.207 -0.933 . . . . 0.0 110.143 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.36 143.1 32.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.405 -0.81 . . . . 0.0 110.214 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' A' ' 45' ' ' SER . 57.6 t80 -82.93 -33.31 26.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.202 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -85.22 -30.75 23.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.27 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -95.91 -39.21 9.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.94 44.49 36.81 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.408 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.2 pt -144.5 160.1 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.386 -1.067 . . . . 0.0 110.196 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.368 -0.832 . . . . 0.0 109.748 179.717 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.5 m95 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.224 0.535 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.12 160.47 16.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.29 -0.881 . . . . 0.0 110.257 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.59 165.05 10.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.144 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -144.95 84.9 8.54 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.402 -0.811 . . . . 0.0 109.845 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.879 1.463 . . . . 0.0 111.436 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB1' ' N ' ' A' ' 68' ' ' ILE . . . -54.9 -25.56 29.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 110.782 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 0.9 OUTLIER -117.4 -69.53 0.85 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.372 -0.83 . . . . 0.0 110.514 -179.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.86 -170.93 36.39 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.18 110.95 3.16 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.881 1.464 . . . . 0.0 110.678 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.717 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.36 -39.72 1.4 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.501 ' CZ3' ' CD1' ' A' ' 49' ' ' LEU . 83.1 m95 -60.58 149.62 34.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.509 -0.995 . . . . 0.0 111.193 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -136.6 153.34 50.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.433 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' NH2' ' CE2' ' A' ' 35' ' ' TYR . 44.7 ttm-85 -124.68 142.39 51.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.612 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -137.18 137.18 38.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.675 -0.641 . . . . 0.0 109.291 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.5 133.48 43.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 110.245 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 34' ' ' TYR . 11.2 t -118.18 103.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.4 -0.812 . . . . 0.0 110.215 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.77 49.0 1.68 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.388 -0.82 . . . . 0.0 109.918 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.593 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER 48.56 175.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 111.413 179.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 24' ' ' SER . 7.0 tppt? -139.38 -37.58 0.5 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 169.92 -172.33 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.348 -0.845 . . . . 0.0 110.881 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -94.57 1.09 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.76 -44.39 0.16 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.674 -0.898 . . . . 0.0 108.9 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.529 ' HB ' ' NH1' ' A' ' 22' ' ' ARG . 63.2 p -75.06 -4.1 36.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.885 -0.509 . . . . 0.0 109.782 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.593 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 48.5 t -47.54 150.76 0.91 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.524 -0.735 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.56 -19.99 48.3 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 55.7 mtt-85 -83.86 160.44 21.15 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.052 -1.263 . . . . 0.0 110.481 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 p -122.96 95.64 4.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.437 -0.789 . . . . 0.0 110.214 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -99.93 129.44 46.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.431 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 16.0 m -99.05 128.57 45.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.842 . . . . 0.0 110.225 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CD1' HG22 ' A' ' 20' ' ' VAL . 30.2 m-85 -108.53 154.23 22.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.485 -0.759 . . . . 0.0 109.621 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.503 ' CE2' ' NH2' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -140.16 148.42 41.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.062 -1.024 . . . . 0.0 110.827 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.16 151.32 25.56 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.525 -0.734 . . . . 0.0 109.755 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.515 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.2 p -56.78 -174.48 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.446 -0.784 . . . . 0.0 110.226 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.717 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.7 Cg_endo -83.64 -12.06 8.95 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.429 1.226 . . . . 0.0 111.71 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -167.65 39.7 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.41 -1.316 . . . . 0.0 112.623 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 123.55 86.05 0.73 Allowed Glycine 0 N--CA 1.495 2.592 0 C-N-CA 119.394 -1.384 . . . . 0.0 111.717 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.515 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 164.73 112.82 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.522 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.89 119.56 22.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.322 -0.861 . . . . 0.0 111.078 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.2 mp -110.96 145.85 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -126.52 -2.08 6.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.149 -0.97 . . . . 0.0 111.013 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.35 -162.19 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.009 -1.057 . . . . 0.0 110.564 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -78.08 -47.27 18.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 6.9 t -52.91 -50.24 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 108.789 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -52.68 -36.61 57.43 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.207 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.501 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 4.1 tp -67.46 -41.94 83.86 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -64.47 -21.76 66.76 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.831 -0.543 . . . . 0.0 109.808 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -71.89 -57.13 4.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -0.844 . . . . 0.0 110.074 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 12.5 t80 -58.2 -33.56 69.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.337 -0.852 . . . . 0.0 110.031 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.54 -15.94 55.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.447 -0.783 . . . . 0.0 110.506 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.87 156.67 17.92 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.77 -18.29 37.02 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 O-C-N 123.818 1.431 . . . . 0.0 110.44 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.32 24.6 6.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 0.0 109.994 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.8 m -131.44 92.5 3.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 110.163 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.68 166.07 21.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.32 -0.862 . . . . 0.0 110.324 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.0 mt -138.99 66.35 1.42 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 109.719 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -1.09 33.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.437 -0.789 . . . . 0.0 110.874 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.9 mt -115.49 3.24 14.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -0.996 . . . . 0.0 110.69 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -88.17 130.69 34.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 109.903 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -93.45 109.62 21.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -0.808 . . . . 0.0 109.871 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.414 ' CE2' ' OH ' ' A' ' 35' ' ' TYR . 20.5 t80 -56.71 -29.33 62.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.409 -0.807 . . . . 0.0 110.864 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -86.86 -47.07 9.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 111.179 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 13.6 mp0 -75.87 -54.58 6.69 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.435 ' CA ' ' CZ ' ' A' ' 17' ' ' ARG . . . 99.56 51.77 1.28 Allowed Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.43 HG22 ' HG2' ' A' ' 9' ' ' PRO . 5.6 pt -154.36 149.43 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -1.083 . . . . 0.0 110.169 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.898 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.8 m95 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.176 0.512 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 mt -110.49 160.18 16.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.417 -0.802 . . . . 0.0 110.278 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.35 -179.95 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.332 -0.855 . . . . 0.0 110.235 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.8 t -154.26 88.81 3.39 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -71.38 -6.77 19.88 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.934 1.491 . . . . 0.0 111.412 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 68' ' ' ILE . . . -57.28 -18.06 14.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.97 . . . . 0.0 110.816 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 4.0 mp -128.52 -68.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.103 -0.998 . . . . 0.0 110.495 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.18 -156.79 17.5 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.99 142.7 31.67 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.86 1.453 . . . . 0.0 110.959 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.8 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 99.66 -32.78 6.83 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 61.6 m95 -65.07 140.38 58.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.37 -1.077 . . . . 0.0 111.45 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -133.72 141.88 47.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.685 -0.634 . . . . 0.0 109.395 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.409 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.2 ppt_? -127.54 142.76 51.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.166 -0.959 . . . . 0.0 110.747 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -141.16 150.18 42.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.414 -0.804 . . . . 0.0 110.032 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.32 155.8 17.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 0.0 109.824 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG23 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -139.35 96.67 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.902 . . . . 0.0 109.856 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ARG . 27.7 t80 -79.74 48.74 0.97 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.174 -0.954 . . . . 0.0 110.719 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.572 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 49.61 176.86 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.297 -0.877 . . . . 0.0 110.89 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.2 tppt? -144.17 -31.92 0.44 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 110.687 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 171.09 -179.31 0.05 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.302 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.99 -95.26 0.94 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.66 -43.08 0.21 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.695 -0.886 . . . . 0.0 108.641 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.436 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 44.4 p -74.41 -2.37 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.872 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.572 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.67 136.66 3.32 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.477 -0.765 . . . . 0.0 111.599 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.21 -16.63 32.33 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.103 -1.046 . . . . 0.0 110.575 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -84.08 164.05 19.47 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.109 -1.23 . . . . 0.0 110.467 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 1.3 t -126.58 107.68 10.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -108.85 127.37 53.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 110.091 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.9 m -98.87 123.2 42.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.416 -0.802 . . . . 0.0 109.942 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 72.0 m-85 -109.47 154.43 22.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.464 -0.772 . . . . 0.0 109.898 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -140.21 151.34 45.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.355 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -112.11 147.69 35.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.377 -0.827 . . . . 0.0 109.348 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 32.4 p -53.97 179.57 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.324 -0.86 . . . . 0.0 109.987 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.8 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.2 Cg_endo -85.74 -1.08 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 123.421 1.222 . . . . 0.0 111.805 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.04 15.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.948 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 140.54 82.52 0.08 OUTLIER Glycine 0 N--CA 1.496 2.667 0 C-N-CA 118.828 -1.653 . . . . 0.0 112.069 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.32 113.64 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.663 -0.904 . . . . 0.0 109.087 178.024 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.4 mmm-85 -79.7 116.42 19.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.276 -0.89 . . . . 0.0 111.034 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 48' ' ' GLU . 48.3 mm -105.53 151.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.63 -0.669 . . . . 0.0 109.267 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -24.25 3.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 111.112 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -142.09 -160.26 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.982 . . . . 0.0 110.603 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -80.15 -46.54 16.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.216 -0.927 . . . . 0.0 110.043 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.2 t -55.18 -53.38 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.948 . . . . 0.0 109.266 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -50.27 -37.97 38.73 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.771 0.796 . . . . 0.0 108.877 178.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 1.4 tp -69.22 -47.56 64.43 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.0 m -61.19 -17.29 52.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.744 -0.597 . . . . 0.0 110.282 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.3 mtm180 -79.06 -61.3 2.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.264 -0.897 . . . . 0.0 110.491 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 2.8 t80 -57.55 -20.63 33.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.369 -0.832 . . . . 0.0 110.695 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 HD13 ' HG ' ' A' ' 49' ' ' LEU . 42.6 mt -93.08 -3.47 54.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.225 -0.922 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.61 157.9 33.69 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.49 -22.81 24.25 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 O-C-N 123.831 1.437 . . . . 0.0 110.506 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.32 -10.51 59.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.304 -0.872 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.32 82.82 1.79 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 110.441 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.85 159.83 33.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.7 mt -138.36 67.04 1.42 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 0.0 110.048 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.86 1.68 38.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.375 -0.828 . . . . 0.0 110.575 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -112.38 -24.44 9.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.154 -0.966 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -55.41 144.53 25.18 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.363 -0.836 . . . . 0.0 110.355 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.6 t70 -110.25 119.77 40.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.507 -0.746 . . . . 0.0 109.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -67.4 -32.66 73.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.611 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.66 22.06 3.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 52.0 mt-30 -151.06 -41.03 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.106 -0.997 . . . . 0.0 110.394 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.03 53.35 3.51 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.4 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.8 pp -156.06 159.42 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.519 -0.989 . . . . 0.0 110.351 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.464 -0.772 . . . . 0.0 110.009 179.824 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.1 m95 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.139 0.495 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -105.99 160.37 15.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.097 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -58.6 170.73 0.72 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.201 -0.937 . . . . 0.0 110.108 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.0 t -153.56 88.93 3.59 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.2 -0.937 . . . . 0.0 110.127 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -73.55 -5.27 16.82 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 O-C-N 123.973 1.512 . . . . 0.0 111.44 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 68' ' ' ILE . . . -58.89 -16.51 17.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.917 . . . . 0.0 111.116 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.432 HD13 ' CZ3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -129.69 -64.71 0.87 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.001 -1.062 . . . . 0.0 110.613 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.34 -163.74 29.81 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.64 146.39 43.48 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.97 1.511 . . . . 0.0 110.556 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.705 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 96.52 -32.9 6.06 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.523 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 39.3 m95 -60.88 143.83 54.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.424 -1.045 . . . . 0.0 111.41 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -137.42 149.57 47.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.614 -0.679 . . . . 0.0 109.801 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -130.88 150.3 52.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.207 -0.933 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 136.35 34.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.48 -0.762 . . . . 0.0 109.852 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.56 135.48 40.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.85 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 34' ' ' TYR . 21.1 t -120.58 100.78 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.441 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.07 45.97 1.23 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.223 -0.923 . . . . 0.0 110.047 179.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 50.12 171.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.504 -0.748 . . . . 0.0 111.22 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.1 tppt? -140.26 -32.95 0.58 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 110.672 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.8 p 171.69 -173.56 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.12 -0.987 . . . . 0.0 111.254 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.76 -94.92 1.13 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.92 -41.5 0.21 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.691 -0.888 . . . . 0.0 108.732 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.433 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 41.1 p -76.37 -1.6 27.67 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.856 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.558 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.8 p -44.53 134.75 5.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.461 -0.775 . . . . 0.0 111.583 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.4 33.05 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.064 -1.065 . . . . 0.0 110.579 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 66.5 mtt85 -85.85 173.71 9.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.984 -1.304 . . . . 0.0 110.282 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 4.1 p -135.04 99.65 4.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.447 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.433 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 79.3 m-20 -99.96 126.37 46.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.376 -0.827 . . . . 0.0 110.137 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.421 HG23 ' CE2' ' A' ' 35' ' ' TYR . 40.2 m -99.24 125.24 44.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.501 -0.749 . . . . 0.0 110.13 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' HG23 ' A' ' 20' ' ' VAL . 57.2 m-85 -109.38 155.94 20.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.526 -0.734 . . . . 0.0 109.928 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.497 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -140.28 153.11 46.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.508 -179.647 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -121.76 143.64 49.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.446 -0.784 . . . . 0.0 109.12 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 43.4 m -52.89 175.36 0.11 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.299 -0.876 . . . . 0.0 109.931 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.705 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.7 Cg_endo -83.53 1.05 9.17 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.389 1.205 . . . . 0.0 112.408 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -164.75 23.66 0.06 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 117.839 -1.544 . . . . 0.0 113.096 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 129.84 86.09 0.43 Allowed Glycine 0 N--CA 1.495 2.624 0 C-N-CA 119.036 -1.554 . . . . 0.0 111.937 177.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.3 OUTLIER 168.96 116.52 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.743 -0.857 . . . . 0.0 109.069 178.272 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.72 138.07 37.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.344 -0.847 . . . . 0.0 110.78 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 44' ' ' ARG . 28.9 mt -138.28 152.53 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.587 -0.696 . . . . 0.0 109.187 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' N ' HG23 ' A' ' 43' ' ' ILE . 16.2 mtt180 -133.46 -1.57 3.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.621 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -161.18 -165.61 1.38 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.694 -1.254 . . . . 0.0 111.519 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -49.31 49.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.717 -0.615 . . . . 0.0 110.081 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 2.3 t -53.53 -56.99 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.965 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -49.52 -40.3 37.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.348 -0.845 . . . . 0.0 109.285 179.031 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.514 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 1.8 tp -63.79 -39.32 93.96 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 90.8 m -69.4 -13.91 62.62 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.877 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 7.5 mmt180 -77.47 -59.27 2.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.185 -0.947 . . . . 0.0 109.996 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 12.6 t80 -56.89 -37.14 70.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.34 -0.85 . . . . 0.0 110.082 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' A' ' 59' ' ' LEU . 17.9 mt -75.47 -6.28 49.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.485 -0.759 . . . . 0.0 110.594 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.11 152.67 24.81 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.28 -26.88 20.33 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 O-C-N 123.77 1.405 . . . . 0.0 110.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.09 -17.81 48.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.25 -0.906 . . . . 0.0 110.247 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.54 137.82 32.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.266 -0.896 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.49 172.97 6.87 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' A' ' 53' ' ' LEU . 82.5 mt -141.34 52.66 1.55 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.486 -0.758 . . . . 0.0 110.007 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -15.62 58.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.332 -0.855 . . . . 0.0 110.697 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.7 mt -102.09 13.21 35.36 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.152 -0.968 . . . . 0.0 110.66 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.432 ' CE2' HD21 ' A' ' 49' ' ' LEU . 42.4 t80 -107.35 113.78 27.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.121 -0.987 . . . . 0.0 110.292 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 1.3 m-20 -82.21 116.23 21.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.525 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -50.04 -58.1 6.22 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.361 -0.837 . . . . 0.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -59.11 -55.22 37.84 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.207 -0.933 . . . . 0.0 110.722 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.404 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 1.6 mm100 -59.28 -56.51 21.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.206 -0.934 . . . . 0.0 110.603 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.1 40.93 6.4 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.2 pp -149.03 171.11 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.53 -0.983 . . . . 0.0 110.236 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.492 -0.755 . . . . 0.0 109.776 179.63 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.454 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 7.4 m95 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.22 0.533 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.0 mt -99.62 160.29 14.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -0.818 . . . . 0.0 109.85 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.33 177.69 0.25 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.98 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.42 87.62 4.84 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 109.82 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -72.56 -6.87 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.921 1.485 . . . . 0.0 111.323 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' N ' ' A' ' 68' ' ' ILE . . . -56.95 -19.49 18.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.173 -0.954 . . . . 0.0 110.919 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.3 mp -129.09 -66.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.167 -0.958 . . . . 0.0 110.799 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.97 -169.59 36.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.17 109.94 3.02 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.886 1.466 . . . . 0.0 110.767 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.77 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 144.57 -39.59 1.21 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.544 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 67.7 m95 -65.18 136.62 56.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.503 -0.998 . . . . 0.0 111.066 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -122.74 146.88 47.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.57 -0.707 . . . . 0.0 109.547 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -119.24 146.35 45.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.406 -0.809 . . . . 0.0 110.349 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.454 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 1.3 ttp-105 -139.96 135.23 32.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.503 -0.748 . . . . 0.0 109.687 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.58 125.71 45.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.311 -0.868 . . . . 0.0 110.249 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 34' ' ' TYR . 18.1 t -110.06 99.57 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.423 -0.798 . . . . 0.0 110.023 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -83.63 45.38 1.05 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.277 -0.889 . . . . 0.0 110.594 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HG3' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER 50.38 172.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -138.63 -33.02 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.129 -0.982 . . . . 0.0 110.683 179.729 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.7 p 164.83 -169.85 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.392 -0.817 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -93.24 0.96 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.21 12.94 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.782 -0.834 . . . . 0.0 109.789 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 18.0 p -139.23 11.82 2.58 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.53 -0.731 . . . . 0.0 109.594 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.51 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 3.6 t -51.34 130.07 26.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.45 -0.781 . . . . 0.0 111.284 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.43 -16.61 16.99 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.816 -1.183 . . . . 0.0 111.02 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.545 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 87.1 mtt180 -82.38 158.35 23.37 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.875 -1.368 . . . . 0.0 110.168 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 p -124.71 104.07 8.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.476 -0.765 . . . . 0.0 110.731 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -103.98 126.58 51.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.86 . . . . 0.0 109.76 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.418 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 60.4 m -98.71 121.6 40.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 110.215 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.425 ' CD1' HG21 ' A' ' 20' ' ' VAL . 65.7 m-85 -105.81 156.68 18.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.507 -0.745 . . . . 0.0 109.734 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -140.49 143.66 35.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.158 -0.964 . . . . 0.0 110.741 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 38.8 tt0 -107.22 149.09 28.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 109.171 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.527 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -51.49 -178.96 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.501 -0.749 . . . . 0.0 110.901 -179.585 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.2 Cg_endo -83.52 -9.72 10.06 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 O-C-N 123.739 1.389 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 t -166.68 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.665 -1.214 . . . . 0.0 112.497 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.52 84.56 0.1 Allowed Glycine 0 N--CA 1.497 2.741 0 C-N-CA 119.014 -1.565 . . . . 0.0 112.048 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.527 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.2 OUTLIER 172.8 121.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.523 -0.987 . . . . 0.0 109.105 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -79.79 128.11 33.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.264 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 mp -129.27 147.66 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.28 7.15 3.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.949 . . . . 0.0 110.994 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -169.94 -171.99 1.27 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.018 -1.051 . . . . 0.0 110.553 -179.631 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' N ' ' OG ' ' A' ' 45' ' ' SER . 17.9 ttpt -73.84 -42.29 61.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.851 . . . . 0.0 108.746 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 37.9 t -59.55 -54.12 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.527 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -51.76 -38.9 57.36 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.302 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.504 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 12.1 tp -66.31 -47.47 73.47 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -61.97 -17.48 57.14 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.795 -0.566 . . . . 0.0 110.077 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -75.81 -60.15 2.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 4.4 t80 -60.42 -19.88 57.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.055 -1.028 . . . . 0.0 110.073 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.4 mt -96.09 -15.37 22.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 110.288 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.28 155.32 23.49 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.98 -31.01 15.77 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 O-C-N 123.781 1.411 . . . . 0.0 110.119 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.48 62.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 109.865 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.92 54.45 2.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.473 -0.767 . . . . 0.0 110.093 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -51.94 171.18 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -0.851 . . . . 0.0 110.844 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.3 mt -145.2 63.75 1.28 Allowed 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.567 -0.708 . . . . 0.0 109.814 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -13.35 61.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.525 -0.735 . . . . 0.0 110.834 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.52 -28.85 13.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.184 -0.947 . . . . 0.0 110.444 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 49' ' ' LEU . 33.5 t80 -58.38 111.27 1.17 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.266 -0.896 . . . . 0.0 110.198 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.22 132.14 35.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CD2' ' OH ' ' A' ' 35' ' ' TYR . 46.6 t80 -68.28 -28.57 67.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.377 -0.827 . . . . 0.0 110.474 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -90.17 -31.68 16.95 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -96.01 -42.58 8.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.139 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.1 67.11 2.15 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.43 ' N ' ' HB3' ' A' ' 10' ' ' ALA . 4.4 pt -156.13 24.33 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.387 -1.067 . . . . 0.0 110.767 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 62' ' ' PHE . 2.7 mt . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.185 -0.947 . . . . 0.0 110.359 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.425 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 26.5 m95 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.266 0.555 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt -132.93 160.72 36.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.413 -0.804 . . . . 0.0 110.181 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -64.35 174.17 1.76 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.299 -0.876 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -150.2 87.11 5.03 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.399 -0.813 . . . . 0.0 109.852 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -72.66 -6.32 18.81 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.893 1.47 . . . . 0.0 111.456 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 68' ' ' ILE . . . -62.61 -13.25 29.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.122 -0.986 . . . . 0.0 110.977 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' CB ' ' CD1' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -131.19 -66.38 0.74 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.067 . . . . 0.0 110.731 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.5 -166.51 35.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.49 105.94 2.15 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.799 1.421 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.816 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 145.81 -36.57 1.32 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 66.0 m95 -68.9 144.19 54.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.52 -0.988 . . . . 0.0 111.084 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 6.2 mptt -133.08 149.49 52.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.586 -0.696 . . . . 0.0 109.409 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -131.97 138.65 48.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.847 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 4.9 tpt180 -137.21 140.32 41.65 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.49 144.8 28.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.5 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 34' ' ' TYR . 15.2 t -126.37 102.65 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.529 -0.732 . . . . 0.0 109.915 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -81.83 52.52 1.95 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.147 -0.971 . . . . 0.0 110.329 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.485 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 47.43 -179.14 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.782 0.801 . . . . 0.0 111.38 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.8 tmmt? -136.96 -40.14 0.6 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.536 -0.728 . . . . 0.0 109.679 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 165.28 -178.95 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.498 -0.751 . . . . 0.0 110.647 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 111.76 -95.33 0.8 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.62 -43.6 0.4 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.692 -0.887 . . . . 0.0 108.911 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.468 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 74.4 p -77.52 -0.76 27.41 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.933 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 47.0 t -44.51 141.24 2.03 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.43 -0.794 . . . . 0.0 111.515 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.99 -15.25 59.54 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.2 mpt_? -83.32 136.83 34.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.246 -1.149 . . . . 0.0 109.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 p -99.95 103.01 14.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.351 -0.843 . . . . 0.0 110.544 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.3 m-20 -99.67 120.51 39.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.422 HG23 ' CE2' ' A' ' 35' ' ' TYR . 91.4 m -98.86 125.94 44.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.428 ' CD1' HG22 ' A' ' 20' ' ' VAL . 52.6 m-85 -107.21 157.0 18.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.567 -0.708 . . . . 0.0 109.626 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -139.16 160.43 39.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.151 -0.968 . . . . 0.0 110.622 -179.105 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -124.5 144.99 49.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.76 . . . . 0.0 109.868 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 41' ' ' ASP . 4.8 p -51.89 178.24 0.05 OUTLIER Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.586 -0.697 . . . . 0.0 110.187 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.816 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.0 Cg_endo -83.93 -0.92 9.8 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.217 1.114 . . . . 0.0 111.493 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -167.22 19.24 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.296 -1.362 . . . . 0.0 113.195 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 140.56 86.43 0.11 Allowed Glycine 0 N--CA 1.5 2.905 0 C-N-CA 118.817 -1.659 . . . . 0.0 112.115 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.589 ' N ' ' OG ' ' A' ' 37' ' ' SER . 0.2 OUTLIER 169.66 135.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.636 -0.92 . . . . 0.0 109.458 178.502 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -95.08 110.89 22.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.858 . . . . 0.0 110.556 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.3 mp -101.7 139.41 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.348 -0.845 . . . . 0.0 109.323 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -120.4 -0.72 10.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 110.697 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.65 -156.92 0.18 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.11 -0.994 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.2 ttpt -80.09 -44.07 20.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.24 -0.912 . . . . 0.0 110.195 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.5 t -61.3 -44.2 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.327 -0.858 . . . . 0.0 110.096 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -56.53 -45.81 80.93 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.264 -0.898 . . . . 0.0 110.277 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -75.86 -38.78 57.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.384 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.5 m -59.31 -51.11 71.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -0.782 . . . . 0.0 110.111 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.248 -0.907 . . . . 0.0 110.527 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CE1' ' CG ' ' A' ' 41' ' ' ASP . 5.7 t80 -65.07 -24.65 67.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.8 -1.187 . . . . 0.0 109.614 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.4 mt -93.69 4.03 54.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.421 -0.799 . . . . 0.0 110.253 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.22 153.96 9.66 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.15 -28.38 23.43 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.813 1.428 . . . . 0.0 109.942 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.53 15.95 27.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.476 -0.765 . . . . 0.0 109.952 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -101.55 49.3 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.314 -0.866 . . . . 0.0 110.092 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.38 168.57 0.75 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 0.0 110.272 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.408 HD13 ' CD2' ' A' ' 49' ' ' LEU . 92.3 mt -140.48 64.99 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.904 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -27.94 66.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.413 -0.805 . . . . 0.0 110.219 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.27 -31.0 43.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 18.7 t80 -65.15 116.94 7.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.237 -0.914 . . . . 0.0 109.864 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.23 129.16 34.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 109.62 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.54 -61.72 2.41 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 110.329 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -57.24 13.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.234 -0.916 . . . . 0.0 110.797 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.99 -49.49 75.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 110.553 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.94 48.49 8.46 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -154.17 157.46 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.51 -0.994 . . . . 0.0 110.236 -179.651 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.381 -0.825 . . . . 0.0 109.608 179.461 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 3.3 m95 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.232 0.539 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -118.1 160.5 21.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.443 -0.786 . . . . 0.0 110.23 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -71.54 153.3 42.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.881 . . . . 0.0 110.674 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.35 80.64 67.33 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.596 -0.69 . . . . 0.0 109.303 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.99 -5.62 17.39 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 O-C-N 123.986 1.519 . . . . 0.0 112.049 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 68' ' ' ILE . . . -53.52 -47.16 70.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.961 -1.087 . . . . 0.0 110.585 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.518 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.6 mp -94.05 -66.24 0.93 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.808 . . . . 0.0 110.521 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.02 -171.5 37.77 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.9 105.63 2.11 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.947 1.499 . . . . 0.0 110.793 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.762 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.28 -28.74 0.71 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.543 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 71.4 m95 -75.31 154.93 37.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.437 -1.037 . . . . 0.0 111.936 -178.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -140.3 154.14 46.7 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.229 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 8.8 ttp180 -123.54 140.79 52.64 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 110.82 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 16.7 ttp180 -140.62 135.31 31.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.66 -0.65 . . . . 0.0 109.445 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.46 139.98 34.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 109.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' A' ' 34' ' ' TYR . 6.8 t -125.82 101.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.496 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -85.74 48.53 1.61 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.534 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER 49.64 178.33 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.45 -0.781 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' SER . 16.9 ttpt -138.78 -35.58 0.57 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 110.108 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.5 t 161.37 -171.52 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.644 -0.66 . . . . 0.0 110.116 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.502 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.3 -61.96 0.31 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -178.89 -39.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.568 -0.96 . . . . 0.0 108.565 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 22.1 p -82.72 3.31 29.7 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.171 0.51 . . . . 0.0 109.67 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.534 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.2 t -45.32 136.1 5.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.725 . . . . 0.0 111.773 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.85 -19.1 28.48 Favored Glycine 0 N--CA 1.495 2.583 0 C-N-CA 120.046 -1.074 . . . . 0.0 110.967 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.5 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 11.4 mtp180 -78.68 146.19 34.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.94 -1.33 . . . . 0.0 110.448 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.403 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 90.1 p -118.46 98.3 6.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.421 -0.799 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -105.25 135.53 46.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 110.149 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -99.47 127.51 45.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 110.026 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CD1' HG22 ' A' ' 20' ' ' VAL . 28.2 m-85 -109.79 136.39 49.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.531 -0.731 . . . . 0.0 109.489 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 30.5 m-85 -121.79 145.11 48.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.237 -0.914 . . . . 0.0 110.667 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 24.8 tt0 -99.91 141.83 32.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 108.799 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 5.1 p -55.19 -174.66 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.488 -0.757 . . . . 0.0 110.185 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.762 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.3 Cg_endo -81.36 -14.9 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.409 1.215 . . . . 0.0 110.993 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.42 44.19 0.06 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.493 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 121.62 92.66 1.21 Allowed Glycine 0 N--CA 1.497 2.753 0 C-N-CA 119.583 -1.294 . . . . 0.0 112.104 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER 154.79 131.55 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -100.26 129.36 46.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 0.0 110.786 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 48' ' ' GLU . 1.2 mp -111.61 155.48 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.505 -0.747 . . . . 0.0 109.444 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -143.21 11.36 1.74 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.373 -0.829 . . . . 0.0 110.52 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -172.35 -168.5 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.033 -1.042 . . . . 0.0 110.541 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -75.65 -46.84 29.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 55.5 t -56.91 -49.24 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.569 -0.707 . . . . 0.0 109.3 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -51.32 -52.57 44.11 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.624 -0.672 . . . . 0.0 109.938 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.485 HD11 ' CZ3' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -59.86 -42.97 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 108.955 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -61.66 -18.04 57.91 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.706 -0.622 . . . . 0.0 110.24 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt-85 -78.02 -61.63 1.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CE1' ' CB ' ' A' ' 41' ' ' ASP . 11.4 t80 -54.26 -24.69 19.72 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.25 -0.906 . . . . 0.0 110.148 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' A' ' 59' ' ' LEU . 30.1 mt -86.46 -19.53 29.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.407 -0.808 . . . . 0.0 110.238 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.46 156.49 13.86 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.4 -19.94 32.42 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 O-C-N 123.843 1.443 . . . . 0.0 110.402 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.23 26.67 5.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 0.0 110.008 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.82 79.03 1.77 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.03 165.7 24.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.117 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' A' ' 53' ' ' LEU . 39.7 mt -138.12 59.87 1.64 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.848 . . . . 0.0 110.041 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -19.18 36.35 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.676 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.08 7.62 46.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.181 -0.949 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.405 ' CZ ' ' HA2' ' A' ' 67' ' ' GLY . 66.1 t80 -102.25 119.08 38.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.054 -1.029 . . . . 0.0 110.23 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.13 133.56 36.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.399 -0.813 . . . . 0.0 110.115 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 45' ' ' SER . 5.1 t80 -65.65 -28.94 69.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.424 -0.798 . . . . 0.0 110.293 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 -54.92 3.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 0.0 110.589 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.67 -53.35 59.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.266 -0.896 . . . . 0.0 110.462 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' HA2' ' CZ ' ' A' ' 62' ' ' PHE . . . 88.78 25.16 30.57 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.406 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.3 pp -134.45 155.1 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.367 -1.078 . . . . 0.0 110.247 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' N ' ' HB3' ' A' ' 10' ' ' ALA . 8.3 mt . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.441 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 43.8 m95 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.206 0.527 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -102.35 160.68 14.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.124 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.98 -173.95 0.42 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.334 -0.854 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.91 90.73 3.28 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.462 -0.774 . . . . 0.0 109.809 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -75.51 0.9 8.58 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.835 1.439 . . . . 0.0 111.666 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB1' ' CE2' ' A' ' 62' ' ' PHE . . . -74.78 -3.85 34.15 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.005 -1.06 . . . . 0.0 111.26 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.441 HD12 ' CE2' ' A' ' 15' ' ' TRP . 4.3 mt -137.16 -61.53 0.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 110.553 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.21 -177.1 47.84 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.84 96.45 0.85 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.919 1.484 . . . . 0.0 110.48 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.79 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 161.76 -30.51 0.31 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.591 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 63.3 m95 -75.63 151.13 37.83 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.457 -1.025 . . . . 0.0 111.87 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 2.0 mmmm -137.03 129.92 30.61 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 20.1 ttp85 -109.14 138.35 45.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.222 -0.924 . . . . 0.0 110.926 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.1 tpt180 -140.32 137.55 34.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.675 -0.641 . . . . 0.0 109.435 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.59 133.0 44.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.229 -0.919 . . . . 0.0 110.25 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 34' ' ' TYR . 15.6 t -111.35 104.71 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.562 -0.711 . . . . 0.0 109.974 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.9 t80 -84.68 45.86 1.19 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.11 -0.994 . . . . 0.0 110.516 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.571 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 49.9 173.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.431 -0.793 . . . . 0.0 110.905 179.772 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER -142.18 -34.31 0.46 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.037 -1.04 . . . . 0.0 110.827 179.752 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 14.5 t 172.73 -169.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.234 -0.916 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.464 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 102.39 -74.11 0.32 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.05 -39.18 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.447 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 22.1 p -80.24 0.27 33.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.582 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 13.3 t -44.32 132.67 5.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.556 -0.715 . . . . 0.0 111.563 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.75 -14.82 26.82 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.924 -1.131 . . . . 0.0 110.841 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 2.8 mtt-85 -83.08 175.39 10.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.956 -1.32 . . . . 0.0 110.43 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.415 ' HB3' ' CD1' ' A' ' 21' ' ' PHE . 94.6 p -137.37 95.65 3.12 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.625 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.9 m-20 -100.99 124.8 47.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.462 -0.774 . . . . 0.0 109.94 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 m -98.37 128.81 44.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.325 -0.859 . . . . 0.0 110.237 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 44.0 m-85 -111.11 158.35 18.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.507 -0.746 . . . . 0.0 109.822 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 1.2 m-85 -140.18 140.05 35.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 110.729 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 5.3 tp60 -99.35 143.13 29.95 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.495 ' OG ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -52.1 -176.43 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.483 -0.761 . . . . 0.0 111.199 -179.12 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.79 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.5 Cg_endo -81.68 -18.79 7.81 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.578 1.304 . . . . 0.0 110.494 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -156.04 9.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 118.581 -1.248 . . . . 0.0 112.646 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.3 83.94 0.04 OUTLIER Glycine 0 N--CA 1.495 2.611 0 C-N-CA 118.697 -1.716 . . . . 0.0 112.021 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' OD2' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 174.14 116.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.482 -1.011 . . . . 0.0 109.47 177.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.75 118.78 21.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.327 -0.858 . . . . 0.0 110.918 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 48' ' ' GLU . 1.3 mp -119.49 149.19 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.496 -0.753 . . . . 0.0 109.314 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.38 0.28 5.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 110.611 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -158.76 -170.5 3.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.027 -1.046 . . . . 0.0 110.74 -179.508 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' N ' ' OG ' ' A' ' 45' ' ' SER . 4.5 ttpt -77.51 -39.05 47.56 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.522 -0.736 . . . . 0.0 109.04 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.76 -48.62 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -0.774 . . . . 0.0 109.216 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.51 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -54.34 -39.98 67.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.409 -0.807 . . . . 0.0 109.132 179.168 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.481 ' CD1' ' CH2' ' A' ' 15' ' ' TRP . 15.5 tp -68.35 -44.95 74.15 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.3 m -59.88 -23.21 63.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.663 -0.648 . . . . 0.0 109.764 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.51 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -71.65 -58.59 3.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.354 -0.841 . . . . 0.0 110.527 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.495 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 2.8 t80 -57.01 -21.59 31.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 0.0 110.396 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD13 ' HG ' ' A' ' 49' ' ' LEU . 39.3 mt -92.07 -13.12 31.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.279 -0.888 . . . . 0.0 110.782 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.31 152.87 8.73 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.0 -20.3 38.59 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 O-C-N 123.707 1.372 . . . . 0.0 110.453 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.47 8.93 37.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.1 m -104.05 61.84 0.74 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.324 -0.86 . . . . 0.0 110.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 168.04 4.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.209 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.1 mt -141.79 63.49 1.42 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.469 -0.769 . . . . 0.0 110.036 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -18.18 63.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 0.0 110.403 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.87 -27.04 21.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.225 -0.922 . . . . 0.0 110.361 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.454 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 20.0 t80 -67.34 122.01 16.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -85.68 137.83 32.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.368 -0.832 . . . . 0.0 109.84 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -76.76 -67.02 0.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.303 -0.873 . . . . 0.0 110.433 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -58.51 -21.96 53.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.322 -0.861 . . . . 0.0 110.75 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -100.61 -51.59 3.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.124 -0.985 . . . . 0.0 110.432 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.78 62.9 2.07 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.441 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.2 pt -160.32 144.71 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.329 -1.101 . . . . 0.0 110.242 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 10.8 mt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.44 -0.788 . . . . 0.0 109.784 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.421 ' CZ2' ' HD3' ' A' ' 18' ' ' ARG . 61.3 m95 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.13 0.49 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -116.63 160.27 20.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.357 -0.839 . . . . 0.0 110.107 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.23 167.2 0.69 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 110.166 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -147.97 85.85 6.34 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 110.417 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -73.13 -6.99 19.91 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.84 1.442 . . . . 0.0 111.124 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -61.87 -12.66 18.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.295 -0.878 . . . . 0.0 110.97 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' CB ' ' CD1' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -128.42 -68.38 0.76 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 110.457 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.1 -169.72 39.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.8 95.34 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.856 1.451 . . . . 0.0 110.94 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.758 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.19 -29.82 0.72 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 77.8 m95 -73.4 154.26 40.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.629 -0.924 . . . . 0.0 111.773 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -137.25 160.01 40.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.43 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 56.3 ttp180 -129.2 141.39 51.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.149 -0.969 . . . . 0.0 110.934 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HD3' ' CZ2' ' A' ' 5' ' ' TRP . 2.4 ttp-105 -138.34 134.44 34.23 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.48 135.99 40.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 0.0 110.522 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 HG21 ' CD1' ' A' ' 34' ' ' TYR . 25.4 t -122.08 95.72 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.512 -0.743 . . . . 0.0 109.788 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' A' ' 22' ' ' ARG . 4.3 t80 -83.92 44.62 1.01 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.13 -0.981 . . . . 0.0 110.78 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.557 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER 50.92 162.82 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.471 -0.768 . . . . 0.0 111.386 179.544 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -129.85 -31.54 1.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.142 -0.974 . . . . 0.0 110.642 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 164.99 -167.92 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.358 -0.839 . . . . 0.0 110.906 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.79 -68.34 0.33 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -174.32 -40.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.636 -0.92 . . . . 0.0 108.631 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.437 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 25.2 p -78.42 1.09 23.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.211 0.529 . . . . 0.0 109.769 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.557 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -41.83 135.13 2.4 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.641 -0.662 . . . . 0.0 112.023 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.12 -16.35 35.81 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.907 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 61.4 mtt180 -82.21 153.93 25.69 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.954 -1.321 . . . . 0.0 110.184 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.2 p -121.57 101.18 7.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.429 -0.795 . . . . 0.0 110.516 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.06 125.08 47.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.443 -0.785 . . . . 0.0 109.938 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.461 ' CG2' ' CE2' ' A' ' 35' ' ' TYR . 88.7 m -99.41 120.79 40.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.253 -0.904 . . . . 0.0 109.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 44' ' ' ARG . 65.9 m-85 -104.87 142.88 33.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.996 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 1.5 m-85 -126.72 146.9 50.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.312 -0.867 . . . . 0.0 110.291 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -102.5 146.61 27.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 0.0 108.965 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 3.4 p -56.54 -173.15 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.462 -0.774 . . . . 0.0 110.048 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.758 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.0 Cg_endo -82.19 -10.37 11.3 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.272 1.143 . . . . 0.0 111.268 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 t -168.06 20.18 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 0.0 112.959 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.78 86.61 0.08 OUTLIER Glycine 0 N--CA 1.497 2.719 0 C-N-CA 118.821 -1.657 . . . . 0.0 112.153 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.512 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.0 OUTLIER 163.54 113.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.779 -0.836 . . . . 0.0 109.044 178.197 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 145.81 30.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.371 -0.831 . . . . 0.0 110.951 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 44' ' ' ARG . 3.0 mt -140.56 153.47 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.597 -0.69 . . . . 0.0 109.508 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.509 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -131.34 0.47 4.09 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.156 -0.965 . . . . 0.0 111.512 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -158.98 -167.41 2.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.765 -1.209 . . . . 0.0 110.985 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -51.37 13.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.481 -0.762 . . . . 0.0 110.096 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.412 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 3.3 t -52.09 -48.23 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.305 -0.872 . . . . 0.0 109.242 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HG3' ' HD3' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -51.09 -43.68 61.11 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.654 0.74 . . . . 0.0 109.222 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD13 HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -64.73 -40.21 94.95 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -67.06 -16.22 64.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.677 -0.639 . . . . 0.0 110.308 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.5 mtp180 -80.02 -62.54 1.65 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.22 -0.925 . . . . 0.0 110.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.462 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 2.9 t80 -58.03 -21.81 46.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.39 -0.819 . . . . 0.0 110.223 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.8 mt -92.56 -17.92 23.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.275 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.3 153.33 13.81 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 -29.15 17.17 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.807 1.425 . . . . 0.0 110.205 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.48 -18.3 52.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.112 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.4 m -91.39 86.81 6.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.86 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.24 174.02 10.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.228 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.9 mt -139.89 52.68 1.69 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.4 -0.812 . . . . 0.0 109.779 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -23.35 27.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.812 . . . . 0.0 110.585 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt -85.64 -37.35 19.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.272 -0.892 . . . . 0.0 110.355 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 64' ' ' PHE . 71.2 t80 -55.33 127.31 28.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.27 -0.894 . . . . 0.0 109.757 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -102.87 9.58 38.81 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.253 -0.905 . . . . 0.0 111.757 -179.046 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.465 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 24.1 t80 54.51 -85.86 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.155 -0.966 . . . . 0.0 110.853 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -48.59 -31.11 6.12 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.208 -0.933 . . . . 0.0 110.979 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.421 ' HB3' ' CG1' ' A' ' 68' ' ' ILE . 45.9 mt-30 -84.87 -28.93 25.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 0.0 109.991 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.45 39.48 97.75 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.421 ' CG1' ' HB3' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -155.16 160.6 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.591 -0.946 . . . . 0.0 110.149 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 10' ' ' ALA . 5.6 mt . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.526 -0.734 . . . . 0.0 110.136 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.167 0.508 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.09 160.49 27.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.815 . . . . 0.0 110.239 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.78 176.74 0.49 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.307 -0.871 . . . . 0.0 110.232 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.8 t -155.97 93.36 2.54 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -77.92 6.72 4.38 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.84 1.442 . . . . 0.0 111.675 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 69' ' ' LEU . . . -67.66 -9.52 44.06 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.012 -1.055 . . . . 0.0 111.107 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.2 mt -135.79 -61.89 0.7 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.951 -1.093 . . . . 0.0 110.469 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.08 -165.2 31.52 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.32 128.42 12.84 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.857 1.451 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.711 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 117.28 -39.47 2.64 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.478 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 61.8 m95 -57.41 140.22 50.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.47 -1.018 . . . . 0.0 111.227 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.57 152.38 51.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -140.14 140.11 35.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.157 -0.964 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -140.49 146.34 38.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.581 -0.699 . . . . 0.0 109.469 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.68 127.74 45.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.274 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.432 HG23 ' CD1' ' A' ' 34' ' ' TYR . 12.2 t -105.47 104.55 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 109.822 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.47 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -83.26 45.75 1.06 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 110.558 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.576 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 50.63 171.03 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.332 -0.855 . . . . 0.0 111.143 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.4 OUTLIER -135.01 -36.36 0.82 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 110.562 179.639 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.469 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 13.0 t 172.76 -171.42 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.295 -0.878 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.469 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 103.25 -94.57 1.13 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.16 -44.62 0.2 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.44 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 41.2 p -72.32 -5.14 34.11 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.837 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.576 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.7 p -41.88 137.65 1.71 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.582 -0.699 . . . . 0.0 111.696 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.26 -15.59 39.13 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.684 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 69.1 mtt180 -83.48 165.99 18.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.021 -1.282 . . . . 0.0 110.367 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 7.4 p -129.79 96.23 4.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -99.77 126.09 45.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.813 . . . . 0.0 110.024 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -98.31 124.55 43.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 0.0 109.858 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 49.6 m-85 -108.72 152.75 24.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.541 -0.724 . . . . 0.0 109.886 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -139.95 144.04 36.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.955 . . . . 0.0 110.4 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 37' ' ' SER . 1.8 tt0 -108.1 150.05 27.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.775 . . . . 0.0 109.515 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 41' ' ' ASP . 20.0 p -54.47 -177.8 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.513 -0.742 . . . . 0.0 110.225 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 52.0 Cg_endo -84.58 -2.79 9.91 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.453 1.238 . . . . 0.0 112.194 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -166.76 19.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.092 -1.443 . . . . 0.0 113.274 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 139.53 82.16 0.08 OUTLIER Glycine 0 N--CA 1.497 2.715 0 C-N-CA 118.792 -1.671 . . . . 0.0 112.124 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.454 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 170.11 108.62 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.596 -0.943 . . . . 0.0 109.061 178.086 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 128.9 33.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 110.858 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 48' ' ' GLU . 17.4 mt -128.97 150.47 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.607 -0.683 . . . . 0.0 109.381 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.419 ' N ' HG23 ' A' ' 43' ' ' ILE . 36.7 mtt85 -126.94 -6.9 6.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.235 -0.916 . . . . 0.0 111.177 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -151.22 -164.37 1.99 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.962 -1.086 . . . . 0.0 110.237 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -80.08 -46.72 16.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.145 -0.972 . . . . 0.0 110.142 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 t -54.28 -48.53 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 108.703 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.506 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 3.4 mm-40 -53.28 -36.36 61.08 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.447 HD12 HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -68.31 -51.13 48.16 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.133 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.0 m -56.64 -21.21 25.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.907 -0.496 . . . . 0.0 110.198 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.506 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.2 mmm180 -74.1 -58.55 3.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.219 -0.925 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 3.7 t80 -68.09 -10.81 56.83 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.227 -0.92 . . . . 0.0 110.532 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD11 HD13 ' A' ' 59' ' ' LEU . 41.5 mt -103.15 -21.12 13.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.155 -0.966 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.8 151.05 8.39 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -21.34 35.33 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 O-C-N 123.711 1.374 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.32 -9.27 33.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 0.0 110.26 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.3 t -84.42 64.36 8.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.205 -0.935 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.16 154.63 15.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.263 -0.898 . . . . 0.0 110.213 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.417 HD13 HD11 ' A' ' 53' ' ' LEU . 74.2 mt -140.15 57.27 1.6 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.359 -0.838 . . . . 0.0 110.067 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -15.79 62.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 0.0 110.23 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mt -88.43 -26.68 22.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.305 -0.872 . . . . 0.0 110.161 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 31.1 t80 -64.94 115.43 5.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.251 -0.905 . . . . 0.0 109.714 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -79.91 120.92 24.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.207 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' A' ' 35' ' ' TYR . 16.4 t80 -62.97 -23.02 67.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -90.67 -31.02 16.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.167 -0.958 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -109.21 -47.55 3.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.094 -1.004 . . . . 0.0 110.13 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 70.73 71.92 0.96 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.404 ' N ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -151.67 12.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.317 -1.108 . . . . 0.0 111.486 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 6.8 mt . . . . . 0 N--CA 1.499 1.98 0 O-C-N 121.025 -1.047 . . . . 0.0 110.171 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.27 0.557 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.68 80.06 0.1 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.322 -0.861 . . . . 0.0 110.431 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.5 -61.88 1.61 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.34 -0.85 . . . . 0.0 110.196 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.39 92.1 0.24 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.399 -0.813 . . . . 0.0 110.171 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.426 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 19.0 m95 -94.38 113.03 24.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 110.275 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -111.42 154.2 25.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.014 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -58.07 170.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.273 -0.892 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.4 t -150.15 87.75 4.91 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.65 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -71.14 -5.26 16.6 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.983 1.517 . . . . 0.0 111.579 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 62' ' ' PHE . . . -58.82 -14.78 9.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 110.898 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 3.3 mp -127.32 -68.95 0.77 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.021 -1.05 . . . . 0.0 110.398 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.96 -166.22 32.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.78 138.69 26.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.803 1.423 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.73 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 109.25 -35.09 5.13 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 36.9 m95 -62.4 145.92 52.72 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.349 -1.089 . . . . 0.0 111.418 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -139.53 132.53 29.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.667 -0.645 . . . . 0.0 109.598 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -115.21 152.94 31.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.263 -0.898 . . . . 0.0 110.522 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 11.7 ttp180 -140.03 160.15 40.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.854 . . . . 0.0 110.229 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.96 143.14 45.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 109.922 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.3 t -132.34 101.55 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.208 -0.932 . . . . 0.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' ARG . 3.2 t80 -84.7 50.04 1.83 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.259 -0.901 . . . . 0.0 110.217 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.553 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.2 OUTLIER 48.59 -179.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.707 0.765 . . . . 0.0 111.07 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' N ' ' OP1' ' B' ' 106' ' ' 5CM . 2.4 tmmt? -139.17 -38.4 0.49 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.528 -0.732 . . . . 0.0 109.923 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER 167.7 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.441 -0.787 . . . . 0.0 110.764 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.57 -91.1 1.01 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.81 -41.92 0.17 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.948 0.88 . . . . 0.0 109.057 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.434 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 42.4 p -77.8 -0.16 26.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.865 -0.522 . . . . 0.0 110.036 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 38.0 t -45.06 138.78 3.55 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 111.731 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 -14.08 49.94 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.497 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -87.41 150.0 24.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.047 -1.267 . . . . 0.0 110.207 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.6 p -110.97 118.06 35.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 110.485 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -116.16 127.92 55.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.436 -0.79 . . . . 0.0 110.055 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.3 m -99.77 124.3 44.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 110.409 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 86.3 m-85 -113.49 142.64 45.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.443 -0.786 . . . . 0.0 109.402 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.416 ' OH ' ' CD2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -139.74 139.85 36.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.056 -1.028 . . . . 0.0 110.63 -179.355 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 45.3 tt0 -99.62 152.43 20.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.425 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.498 ' OG ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -54.15 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.586 -0.696 . . . . 0.0 110.493 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.73 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.3 Cg_endo -86.05 -9.22 7.51 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.481 1.253 . . . . 0.0 111.225 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -161.09 14.9 0.1 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.808 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.49 80.98 0.04 OUTLIER Glycine 0 N--CA 1.495 2.591 0 C-N-CA 118.723 -1.703 . . . . 0.0 112.227 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.74 128.79 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.486 -1.008 . . . . 0.0 109.628 177.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -97.85 105.37 17.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.219 -0.925 . . . . 0.0 110.568 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.493 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.3 mp -106.21 135.55 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.331 -0.856 . . . . 0.0 109.322 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.46 -3.34 15.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.867 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 1.081 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -154.97 -165.19 1.97 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -179.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' N ' ' OG ' ' A' ' 45' ' ' SER . 8.4 ttpt -78.95 -42.8 26.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.514 -0.741 . . . . 0.0 109.086 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.407 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 25.1 t -56.58 -54.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 0.0 108.729 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -50.57 -39.02 48.37 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.616 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD12 ' CH2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -67.98 -42.71 80.4 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.8 m -65.79 -15.77 63.18 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.745 -0.597 . . . . 0.0 109.882 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 15.1 mmt180 -77.77 -62.37 1.69 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.867 . . . . 0.0 110.185 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -58.44 -21.93 52.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 110.251 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.1 mt -94.56 -15.84 23.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.49 153.35 18.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.32 -29.7 20.8 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 123.7 1.369 . . . . 0.0 110.199 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.23 -21.61 58.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.416 -0.803 . . . . 0.0 109.98 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.57 66.33 7.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.49 166.25 2.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.6 mt -139.48 64.6 1.46 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.37 -0.831 . . . . 0.0 110.046 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 -20.99 60.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.321 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.0 mt -95.1 13.5 25.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.253 -0.904 . . . . 0.0 110.671 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.437 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 43.2 t80 -98.45 130.1 45.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 110.054 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.19 120.33 29.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.47 -0.769 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' ' OH ' ' A' ' 35' ' ' TYR . 13.7 t80 -72.75 -26.27 61.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.004 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.13 -12.07 39.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.0 110.926 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -123.07 -40.51 2.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.119 -0.988 . . . . 0.0 110.632 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.5 56.59 2.78 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.8 pt -154.62 150.55 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.424 -1.045 . . . . 0.0 110.496 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 10.4 mt -93.3 83.43 4.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.504 -0.748 . . . . 0.0 109.589 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.13 -45.43 5.45 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.594 -0.691 . . . . 0.0 111.221 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -125.15 131.16 24.02 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 0.0 110.208 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -73.33 -83.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.33 0 O-C-N 123.551 1.29 . . . . 0.0 110.633 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.0 154.42 72.55 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.058 -1.026 . . . . 0.0 110.231 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -73.22 -78.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 123.699 1.368 . . . . 0.0 110.771 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.8 tttt . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.225 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.49 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.726 0 O4'-C1'-N19 110.932 3.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.826 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.913 0 O4'-C1'-N19 110.475 3.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.826 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.798 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.798 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.736 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.835 H5A3 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.841 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.823 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.875 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.723 1 O4'-C1'-N19 111.125 4.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.892 0 O4'-C1'-N19 110.646 3.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.862 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.046 0 O4'-C1'-N19 110.724 3.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.862 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.794 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.711 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.467 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.707 0 O4'-C1'-N19 110.847 3.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.834 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.938 0 O4'-C1'-N19 110.524 3.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.834 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.799 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.603 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.735 0 O4'-C1'-N19 110.884 3.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 1.081 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 P--O5' 1.611 1.756 1 O4'-C1'-N19 111.073 4.091 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.866 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.866 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.443 1.753 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.911 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.73 0 O4'-C1'-N19 110.886 3.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.911 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.805 0 O4'-C1'-N19 110.769 3.711 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.911 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.091 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.911 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.857 1 O4'-C1'-N19 111.031 4.038 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.444 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptm . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.229 0.538 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.25 114.11 4.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.4 -0.813 . . . . 0.0 110.206 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -53.7 -27.09 25.98 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.394 -0.816 . . . . 0.0 110.534 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 t70 62.38 120.64 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.319 -0.863 . . . . 0.0 110.306 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -79.56 131.5 36.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 0.0 110.098 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -107.69 160.53 15.64 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.471 -0.768 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.92 158.66 32.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 46.1 t -136.84 82.97 30.3 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.85 -5.36 16.72 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 O-C-N 124.115 1.587 . . . . 0.0 112.513 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 69' ' ' LEU . . . -55.38 -53.66 53.46 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.778 -1.201 . . . . 0.0 110.184 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 0.9 OUTLIER -81.9 -67.96 0.74 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.359 -0.838 . . . . 0.0 110.772 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.52 -159.81 23.16 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.253 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 38' ' ' PRO . 47.9 Cg_endo -73.66 136.99 24.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.973 1.512 . . . . 0.0 111.112 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.718 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 105.29 -34.58 5.68 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.505 ' NE1' ' HD3' ' A' ' 38' ' ' PRO . 41.8 m95 -60.16 143.12 53.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.542 -0.975 . . . . 0.0 111.05 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.03 148.2 41.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.464 -0.773 . . . . 0.0 109.66 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.93 147.5 52.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.902 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -135.08 147.23 49.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.478 -0.764 . . . . 0.0 109.624 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.9 146.14 27.73 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.918 . . . . 0.0 110.37 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 34' ' ' TYR . 22.0 t -132.31 96.15 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.817 . . . . 0.0 110.017 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 -83.05 45.32 1.0 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.367 -0.833 . . . . 0.0 110.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.556 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.2 OUTLIER 51.75 168.31 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 111.083 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' SER . 3.1 tppt? -134.79 -30.81 1.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.0 110.338 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 164.28 -165.86 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.413 -0.804 . . . . 0.0 110.788 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.46 -66.51 0.46 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -176.38 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.631 -0.923 . . . . 0.0 108.554 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.452 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 18.1 p -78.45 -1.48 33.83 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.543 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.5 t -39.64 131.32 1.78 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.659 -0.65 . . . . 0.0 111.793 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.68 -15.97 23.97 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 120.123 -1.037 . . . . 0.0 110.681 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 31.6 mtt180 -83.76 151.74 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.998 -1.295 . . . . 0.0 110.566 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 49.2 p -119.38 106.31 12.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.34 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 45.7 m-20 -109.31 127.65 54.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.473 -0.767 . . . . 0.0 110.193 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.436 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 6.6 m -99.23 121.93 41.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.434 -0.791 . . . . 0.0 110.034 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 45.6 m-85 -106.42 144.97 32.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -135.56 160.07 39.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.153 -0.967 . . . . 0.0 110.473 -179.585 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -125.87 148.94 49.03 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.476 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -53.47 -175.58 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.63 -0.669 . . . . 0.0 109.309 179.399 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.718 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 43.2 Cg_endo -75.6 -13.22 20.27 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 N-CA-C 109.538 -0.985 . . . . 0.0 109.538 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 38' ' ' PRO . 13.2 t -179.2 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.01 -115.6 2.42 Favored Glycine 0 N--CA 1.489 2.194 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.047 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -116.69 -153.32 0.52 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.592 -0.946 . . . . 0.0 110.464 -178.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.03 116.17 31.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 110.906 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 48' ' ' GLU . 23.2 mt -99.54 155.16 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.427 ' N ' HG23 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -124.21 -10.46 7.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.106 -0.996 . . . . 0.0 111.562 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.498 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 1.5 m -152.63 -166.08 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.781 -1.2 . . . . 0.0 111.021 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 14.7 ttpt -77.21 -47.53 19.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.57 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 6.2 t -54.29 -52.7 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 108.779 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.486 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 3.0 mt-10 -53.18 -32.94 50.46 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.437 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -72.18 -48.68 41.42 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.171 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.1 m -59.03 -21.12 58.58 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.763 -0.586 . . . . 0.0 109.697 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -73.48 -59.53 2.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.41 -0.806 . . . . 0.0 110.023 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 6.8 t80 -59.73 -24.57 64.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.339 -0.851 . . . . 0.0 110.17 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.5 mt -86.36 -21.45 27.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.04 156.69 14.37 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -16.47 33.34 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.826 1.435 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.01 14.76 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.47 63.72 0.96 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' O ' HD21 ' A' ' 59' ' ' LEU . 2.6 p-10 -51.32 174.3 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.462 -0.774 . . . . 0.0 110.747 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 58' ' ' ASP . 32.7 mt -151.78 62.77 0.86 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.562 -0.711 . . . . 0.0 109.674 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -76.97 -0.08 23.05 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.357 -0.839 . . . . 0.0 111.203 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.88 -26.16 11.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.013 -1.054 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 64' ' ' PHE . 39.1 t80 -59.77 123.06 15.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.174 -0.954 . . . . 0.0 109.488 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' LYS . 7.3 m-20 -85.15 7.99 19.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.359 -0.838 . . . . 0.0 111.7 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 64.3 t80 57.43 -76.91 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.289 -0.882 . . . . 0.0 110.743 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -57.23 -53.8 54.0 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.125 -0.984 . . . . 0.0 110.834 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -63.55 -32.9 74.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 110.522 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.67 45.48 58.62 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.412 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.2 pt -153.14 157.43 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.386 -1.067 . . . . 0.0 110.445 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 71' ' ' TYR . 9.1 mt -105.23 86.89 2.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.481 -0.762 . . . . 0.0 109.59 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.83 82.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.475 -0.766 . . . . 0.0 110.625 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 69' ' ' LEU . 72.8 t80 -129.93 75.26 79.76 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.446 -0.784 . . . . 0.0 109.826 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -71.35 -80.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.776 1.408 . . . . 0.0 110.799 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.21 154.63 50.13 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.089 -1.007 . . . . 0.0 110.294 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.1 -33.09 7.84 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 O-C-N 123.807 1.425 . . . . 0.0 110.368 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mttp . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.114 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.513 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.821 0 O4'-C1'-N19 110.759 3.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.874 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.874 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.779 0 O4'-C1'-N19 110.961 3.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.809 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.887 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.809 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.642 1 O4'-C1'-N19 111.032 4.04 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.808 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.805 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.819 1 O4'-C1'-N19 111.221 4.277 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.888 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C1'-N19 111.14 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.888 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.864 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C1'-N19 110.826 3.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.864 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.866 1 O4'-C1'-N19 111.062 4.078 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.439 ' C6 ' H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.723 0 O4'-C1'-N19 110.947 3.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.418 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.778 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.881 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.881 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.742 0 O4'-C1'-N19 110.965 3.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.951 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.723 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.769 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.832 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.832 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 2.012 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.877 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.877 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.787 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.909 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.443 1.791 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.909 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.823 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.414 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.524 1.678 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.247 0.546 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 5' ' ' TRP . . . -146.44 55.5 1.15 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.257 -0.902 . . . . 0.0 110.365 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.08 20.74 4.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.446 -0.784 . . . . 0.0 110.763 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.43 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 4.5 t0 62.03 92.82 0.05 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.222 -0.924 . . . . 0.0 110.949 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.444 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 27.1 m95 -79.45 168.29 19.67 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.324 -0.86 . . . . 0.0 109.969 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -137.55 160.1 40.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 110.215 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 165.01 7.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.291 -0.881 . . . . 0.0 109.925 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 47.5 t -148.2 84.8 6.61 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 110.436 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -73.99 -7.03 19.43 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 O-C-N 123.791 1.417 . . . . 0.0 111.08 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' O ' ' CD1' ' A' ' 69' ' ' LEU . . . -55.86 -19.63 12.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.231 -0.918 . . . . 0.0 111.21 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.458 HD22 ' CH2' ' A' ' 15' ' ' TRP . 2.9 mp -126.53 -66.84 0.89 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.944 -1.097 . . . . 0.0 110.684 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.99 -165.44 29.96 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.57 133.75 19.35 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.849 1.447 . . . . 0.0 110.703 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.719 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 111.88 -32.66 6.22 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 85.7 m95 -62.89 147.02 51.48 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.406 -1.055 . . . . 0.0 111.435 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 5.4 mmtt -137.87 154.08 49.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.683 -0.636 . . . . 0.0 109.407 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.15 137.85 49.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.992 . . . . 0.0 110.752 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 4.7 tpm_? -140.12 133.53 29.98 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.61 -0.681 . . . . 0.0 109.478 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -99.59 137.08 38.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 0.0 110.248 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 31' ' ' SER . 9.8 t -116.04 104.98 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.523 -0.736 . . . . 0.0 109.93 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -86.09 37.9 0.74 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.091 -1.005 . . . . 0.0 110.512 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.607 ' HG3' ' HB2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER 51.54 162.34 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.732 0.777 . . . . 0.0 111.399 179.537 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -128.27 -34.63 2.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 110.378 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 p 166.39 -170.29 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.368 -0.832 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.415 ' HA3' ' P ' ' B' ' 107' ' ' ' DG' . . . 106.15 -58.03 0.45 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . 177.94 -38.76 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.581 -0.952 . . . . 0.0 108.456 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.494 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 33.4 p -85.42 9.02 16.83 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.1 t -49.2 132.84 19.58 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.423 -0.798 . . . . 0.0 111.452 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.75 -7.16 55.26 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.665 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.607 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.8 mpt_? -91.45 128.66 37.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.283 . . . . 0.0 109.539 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 9.0 p -99.64 124.07 44.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.006 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.01 129.72 51.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.539 -0.725 . . . . 0.0 109.66 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.433 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 31.2 m -98.48 118.61 35.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.243 -0.91 . . . . 0.0 110.238 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CE1' HG21 ' A' ' 20' ' ' VAL . 55.2 m-85 -101.85 153.23 20.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.624 -0.673 . . . . 0.0 110.02 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -139.7 144.02 37.34 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.242 -0.911 . . . . 0.0 110.25 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -109.33 142.19 40.58 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.498 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . 9.5 p -54.99 -175.47 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.801 . . . . 0.0 110.092 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.719 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 45.9 Cg_endo -83.63 -7.79 10.52 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.386 1.203 . . . . 0.0 111.705 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -168.2 47.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 118.05 -1.46 . . . . 0.0 112.796 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 113.64 89.52 1.75 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 119.537 -1.316 . . . . 0.0 111.944 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER 165.09 108.73 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.83 -0.806 . . . . 0.0 109.123 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 116.0 19.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.298 -0.876 . . . . 0.0 110.888 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.457 HD11 HD12 ' A' ' 49' ' ' LEU . 28.0 mt -112.94 148.98 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.489 -0.757 . . . . 0.0 109.128 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -135.85 4.22 3.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.216 -0.927 . . . . 0.0 111.583 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.527 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -163.34 -162.7 0.76 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.829 -1.17 . . . . 0.0 111.054 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -74.65 -47.96 28.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.455 -0.778 . . . . 0.0 109.669 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.547 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 15.3 t -54.56 -54.25 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.471 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 6.9 mm-40 -51.68 -42.47 62.19 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.384 -0.823 . . . . 0.0 109.233 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.477 HD12 ' CZ3' ' A' ' 15' ' ' TRP . 5.6 tp -66.23 -46.32 77.61 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -61.12 -16.72 47.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.821 -0.549 . . . . 0.0 110.215 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mmt180 -78.53 -62.12 1.79 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.919 . . . . 0.0 110.486 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.4 t80 -53.14 -28.36 25.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.178 -0.951 . . . . 0.0 110.093 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD13 HD12 ' A' ' 59' ' ' LEU . 3.2 mt -92.05 -22.82 19.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.49 155.37 16.02 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.41 -27.21 19.52 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 O-C-N 123.897 1.472 . . . . 0.0 110.378 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.0 -21.01 55.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.152 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.91 74.38 4.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.189 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.65 160.19 7.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.328 -0.858 . . . . 0.0 110.183 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.442 HD12 HD13 ' A' ' 53' ' ' LEU . 65.3 mt -132.48 43.6 2.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -25.78 34.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.37 -0.831 . . . . 0.0 110.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.25 -24.47 37.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.414 -0.804 . . . . 0.0 110.212 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 67.8 t80 -68.21 118.36 11.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.027 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.412 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 1.9 m-20 -85.39 111.56 20.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 109.892 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 36.1 t80 -50.0 -43.36 50.54 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.354 -0.841 . . . . 0.0 110.889 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -55.1 6.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.102 -0.999 . . . . 0.0 111.052 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.412 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 14.6 mt-30 -64.76 -50.95 64.84 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.963 . . . . 0.0 110.622 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.2 52.28 3.47 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.946 -1.662 . . . . 0.0 108.946 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -156.8 155.28 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.563 -0.963 . . . . 0.0 110.093 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 7.0 mt -103.18 87.41 2.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.783 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.1 t -47.13 -61.97 1.64 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.457 -0.777 . . . . 0.0 110.576 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.0 t80 51.49 88.79 0.11 Allowed Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.311 -0.868 . . . . 0.0 110.597 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.93 131.86 17.53 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 O-C-N 123.72 1.379 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.87 57.21 27.95 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.368 -0.833 . . . . 0.0 110.192 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.9 141.32 33.19 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 O-C-N 123.83 1.437 . . . . 0.0 110.383 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.5 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.502 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.655 0 O4'-C1'-N19 110.931 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.826 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.926 0 O4'-C1'-N19 110.428 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.826 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.763 0 O4'-C1'-N19 110.862 3.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.855 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.502 3.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.855 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.979 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.867 H5A3 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.772 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.742 1 O4'-C1'-N19 111.362 4.452 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.887 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.895 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.887 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 1.972 0 O4'-C1'-N19 110.702 3.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.874 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.874 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.821 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.426 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.703 0 O4'-C1'-N19 110.877 3.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.476 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.696 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.816 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C1'-N19 110.55 3.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.816 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.73 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.5 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.622 0 O4'-C1'-N19 110.719 3.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.791 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.938 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.836 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.836 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.876 1 O4'-C1'-N19 111.015 4.019 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.9 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.735 0 O4'-C1'-N19 110.845 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.9 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.782 0 O4'-C1'-N19 110.694 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.889 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.995 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.889 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.853 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.461 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.813 0 O4'-C1'-N19 110.988 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.226 0.536 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.507 ' O ' ' HB2' ' A' ' 3' ' ' GLU . . . -124.32 36.92 4.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.457 -0.777 . . . . 0.0 110.228 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' A' ' 2' ' ' ALA . 4.4 mp0 63.39 -61.0 0.15 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.751 -0.593 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 2' ' ' ALA . 55.0 m-20 62.86 128.01 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.34 -0.85 . . . . 0.0 110.386 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.422 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 82.9 m95 -79.57 172.48 13.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.456 -0.778 . . . . 0.0 110.26 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt -135.25 160.6 37.87 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.105 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.77 152.97 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.292 -0.88 . . . . 0.0 110.427 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.4 t -142.73 84.69 10.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.829 . . . . 0.0 109.607 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -72.0 -8.16 22.4 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 124.012 1.533 . . . . 0.0 111.881 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.21 -60.62 3.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.023 -1.048 . . . . 0.0 110.652 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.7 mp -79.74 -59.93 2.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.43 -0.794 . . . . 0.0 110.691 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.16 -161.14 32.07 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.27 147.92 38.09 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.847 1.446 . . . . 0.0 110.875 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.782 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 98.67 -32.07 7.43 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.506 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 63.7 m95 -65.32 146.31 55.09 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.412 -1.052 . . . . 0.0 111.447 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -140.24 149.94 43.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.649 -0.657 . . . . 0.0 109.596 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -126.36 122.89 36.69 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.171 -0.956 . . . . 0.0 110.682 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.74 138.33 50.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.385 -0.822 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.15 147.8 25.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.887 . . . . 0.0 110.269 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 21' ' ' PHE . 41.3 t -126.62 157.83 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.404 -0.81 . . . . 0.0 109.833 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' N ' HG13 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -135.38 40.17 2.84 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.198 -0.938 . . . . 0.0 110.106 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.568 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.3 OUTLIER 50.22 175.08 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.598 0.714 . . . . 0.0 111.315 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -140.48 -41.36 0.41 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.418 -0.801 . . . . 0.0 110.343 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.53 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 45.5 t 174.48 -166.96 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.378 -0.826 . . . . 0.0 110.962 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.6 -74.04 0.41 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -166.35 -43.88 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.634 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . 40.0 p -76.35 -1.96 29.39 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.215 0.531 . . . . 0.0 109.742 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 19.3 t -41.3 137.0 1.52 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 111.88 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.43 -9.74 60.97 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.346 -1.101 . . . . 0.0 110.346 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 10.8 mtp85 -91.54 134.88 34.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.123 -1.221 . . . . 0.0 109.925 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 94.7 p -99.8 130.81 46.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.861 . . . . 0.0 110.479 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.6 m-20 -123.47 134.84 53.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.776 . . . . 0.0 109.991 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.415 HG21 ' CE2' ' A' ' 35' ' ' TYR . 26.1 m -99.64 123.52 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' OH ' ' N4 ' ' B' ' 106' ' ' 5CM . 69.0 m-85 -110.49 157.75 19.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.447 -0.783 . . . . 0.0 109.565 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -140.3 145.17 36.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.966 . . . . 0.0 110.751 -179.522 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -110.11 141.29 43.19 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.1 p -54.6 -177.75 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.221 -0.924 . . . . 0.0 110.263 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.782 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -84.95 -7.81 9.24 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.476 1.251 . . . . 0.0 111.671 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 t -165.91 46.76 0.08 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 118.357 -1.337 . . . . 0.0 112.295 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 106.39 91.0 2.2 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.993 -1.099 . . . . 0.0 111.653 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.48 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 165.69 113.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.477 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.56 126.74 31.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 111.351 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.407 HG13 ' CZ3' ' A' ' 15' ' ' TRP . 37.9 mm -117.82 149.21 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HB3' ' C5A' ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -123.11 -21.55 5.41 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.014 -1.054 . . . . 0.0 111.407 -179.106 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.558 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -155.42 -155.57 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.976 -1.078 . . . . 0.0 110.61 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -75.22 -46.15 35.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 110.261 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.603 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.0 t -54.53 -61.07 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.06 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' HB2' ' P ' ' C' ' 118' ' ' 5CM . 3.0 tp10 -49.5 -36.15 22.14 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 7.8 tp -65.69 -42.39 91.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.0 m -65.9 -20.88 66.38 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 19.9 mmt85 -68.68 -55.94 9.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.277 -0.889 . . . . 0.0 109.567 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.7 t80 -56.78 -34.89 68.08 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.41 -22.87 40.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.572 -0.705 . . . . 0.0 110.185 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.4 154.88 11.08 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.1 -21.97 31.16 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.881 1.464 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.21 -19.37 36.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.408 -0.808 . . . . 0.0 110.114 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.5 t -88.61 132.22 34.64 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.257 -0.902 . . . . 0.0 110.069 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 173.67 6.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.326 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 mt -148.39 49.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 109.335 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -65.46 -13.24 58.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.623 -0.673 . . . . 0.0 111.102 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HB3' ' O ' ' A' ' 70' ' ' CYS . 53.4 mt -97.38 -10.38 25.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.152 -0.968 . . . . 0.0 110.775 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 64' ' ' PHE . 35.6 t80 -76.79 121.98 24.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.13 -0.981 . . . . 0.0 109.274 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -90.35 18.53 6.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.206 -0.934 . . . . 0.0 111.252 -179.005 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 82.9 t80 55.63 -81.44 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.375 -0.828 . . . . 0.0 110.851 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -57.31 -52.77 64.0 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.222 -0.924 . . . . 0.0 110.665 -179.791 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -53.75 -38.83 64.78 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.199 -0.938 . . . . 0.0 110.41 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.04 24.2 64.61 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 pp -136.68 154.62 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.23 -1.159 . . . . 0.0 110.136 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.3 mt -92.89 78.23 4.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -117.71 -145.59 0.39 Allowed 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.357 -0.84 . . . . 0.0 109.873 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -97.91 157.81 33.96 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -69.72 -24.89 29.36 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.796 1.419 . . . . 0.0 110.292 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 53.35 97.39 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.436 -0.79 . . . . 0.0 110.771 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.69 -26.18 16.47 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 O-C-N 123.691 1.364 . . . . 0.0 110.333 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.276 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.447 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.626 0 O4'-C1'-N19 110.943 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.809 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.809 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.693 0 O4'-C1'-N19 110.939 3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.86 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-N19 110.695 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.86 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.848 1 O4'-C1'-N19 111.066 4.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.807 H5A2 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.66 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.824 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.835 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.941 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.835 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.834 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.928 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.834 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C1'-N19 110.764 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.43 " O5'" H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.801 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.54 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.877 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.849 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C1'-N19 110.462 3.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.849 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.726 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.587 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.651 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.79 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.733 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.733 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.943 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.873 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.655 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 1.971 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.869 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.811 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.45 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.795 0 O4'-C1'-N19 110.923 3.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.147 0.498 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.18 22.0 3.0 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.337 -0.852 . . . . 0.0 110.417 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -122.66 0.55 9.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.347 -0.846 . . . . 0.0 110.531 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 t0 58.94 107.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.197 -0.94 . . . . 0.0 110.526 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.444 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 30.1 m95 -79.73 131.83 36.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.321 -0.862 . . . . 0.0 110.008 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -108.6 160.22 16.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.31 -0.869 . . . . 0.0 110.108 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.64 178.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.263 -0.898 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.1 t -152.21 88.59 4.07 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.413 -0.805 . . . . 0.0 109.947 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -72.81 -6.6 19.31 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 O-C-N 123.995 1.523 . . . . 0.0 111.639 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB3' ' CA ' ' A' ' 68' ' ' ILE . . . -52.72 -37.26 58.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.231 -0.918 . . . . 0.0 110.939 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 4.4 mp -111.89 -63.25 1.45 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.857 . . . . 0.0 110.787 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.24 -160.17 24.09 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.74 145.98 37.57 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.888 1.467 . . . . 0.0 110.724 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.771 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 100.74 -36.93 3.83 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 77.4 m95 -60.76 147.75 41.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.415 -1.05 . . . . 0.0 110.868 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -140.17 151.7 45.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.717 . . . . 0.0 109.794 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -132.93 142.97 49.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 0.0 110.595 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 7.2 ttt180 -133.33 141.72 48.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.588 -0.695 . . . . 0.0 109.386 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.53 129.03 45.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 110.015 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.82 99.86 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.467 -0.771 . . . . 0.0 110.348 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -82.36 49.94 1.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.232 -0.918 . . . . 0.0 109.954 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.57 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.3 OUTLIER 49.16 -179.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.367 -0.833 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.507 ' N ' ' OP1' ' B' ' 106' ' ' 5CM . 18.0 ttpt -140.89 -36.53 0.46 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.435 -0.79 . . . . 0.0 109.868 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 167.97 -168.16 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.455 -0.778 . . . . 0.0 110.772 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.96 -91.88 1.0 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.5 -43.08 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.598 -0.942 . . . . 0.0 108.975 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.431 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 44.4 p -75.31 -1.49 23.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.893 -0.505 . . . . 0.0 109.947 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.535 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -42.8 140.37 1.36 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.533 -0.73 . . . . 0.0 111.876 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 -17.03 49.65 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 57.0 mtp85 -82.18 149.76 27.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -1.183 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 p -113.51 103.31 11.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 110.218 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.444 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 95.1 m-20 -99.91 124.41 45.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 110.058 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.436 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 94.4 m -99.25 112.4 24.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 0.0 110.057 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 86.1 m-85 -100.46 151.64 21.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.504 -0.747 . . . . 0.0 109.699 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -140.07 154.0 46.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.182 -0.949 . . . . 0.0 110.287 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -115.32 149.92 37.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.498 -0.751 . . . . 0.0 109.3 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.559 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 6.3 m -55.37 -178.22 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.39 -0.819 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.771 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.8 Cg_endo -85.93 1.81 7.8 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.301 1.158 . . . . 0.0 112.864 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 t -167.06 16.8 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.625 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 137.86 83.58 0.12 Allowed Glycine 0 N--CA 1.497 2.723 0 C-N-CA 118.592 -1.766 . . . . 0.0 112.2 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.559 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 4.4 t0 169.05 121.17 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.765 -0.844 . . . . 0.0 108.94 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 137.8 37.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.808 . . . . 0.0 110.875 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 48' ' ' GLU . 47.1 mt -136.16 146.34 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.53 -0.731 . . . . 0.0 109.178 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HB2' ' C5A' ' C' ' 118' ' ' 5CM . 0.7 OUTLIER -131.95 1.69 3.95 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.112 -0.992 . . . . 0.0 111.383 -178.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.468 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 5.7 m -161.23 -165.87 1.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.849 -1.157 . . . . 0.0 110.513 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 9.1 ttpt -75.11 -47.19 29.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.178 -0.951 . . . . 0.0 109.947 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.537 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.2 t -52.94 -52.21 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 0.0 108.95 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 5.0 mm-40 -52.11 -40.05 60.74 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.485 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 3.1 tp -64.6 -40.3 95.27 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.3 m -67.49 -22.51 65.46 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.503 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.0 mtp180 -68.41 -58.57 4.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.231 -0.918 . . . . 0.0 109.848 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 13.1 t80 -57.82 -29.93 65.32 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.293 -0.879 . . . . 0.0 109.986 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.2 mt -85.53 -14.62 45.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.416 -0.803 . . . . 0.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.48 153.86 16.79 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.01 -15.4 32.42 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 O-C-N 123.77 1.405 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.38 -17.3 29.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 110.207 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -90.09 121.33 32.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.299 -0.875 . . . . 0.0 110.139 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.49 160.34 15.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 110.209 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.8 mt -139.27 55.5 1.69 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.435 -0.791 . . . . 0.0 110.016 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -12.03 61.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.813 . . . . 0.0 110.559 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CD1' ' CE1' ' A' ' 71' ' ' TYR . 7.0 mt -96.22 -23.63 16.62 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -59.19 144.74 45.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.221 -0.924 . . . . 0.0 110.178 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.57 110.46 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.434 -0.792 . . . . 0.0 110.06 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -56.12 -23.93 37.47 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.374 -0.829 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -61.55 1.66 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.0 110.591 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.39 -52.33 47.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.299 -0.875 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.04 47.5 1.88 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.411 ' CA ' ' HB3' ' A' ' 10' ' ' ALA . 8.4 pt -147.1 150.47 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.489 -1.006 . . . . 0.0 110.055 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -97.04 77.47 2.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 109.918 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.93 79.44 0.12 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.47 -0.769 . . . . 0.0 110.303 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' N ' ' HD2' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -69.86 -55.05 9.24 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.38 -0.825 . . . . 0.0 110.762 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 71' ' ' TYR . 46.4 Cg_endo -71.01 -3.13 12.22 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 123.725 1.382 . . . . 0.0 111.375 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.23 117.27 7.59 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.032 -1.043 . . . . 0.0 110.559 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.53 156.72 53.75 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.645 1.339 . . . . 0.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 mttt . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.476 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.438 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.848 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.855 0 O4'-C1'-N19 110.5 3.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.848 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C1'-N19 110.98 3.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.854 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.841 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.854 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.715 0 O4'-C1'-N19 110.781 3.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.809 H5A2 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.784 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.442 1.669 1 O4'-C1'-N19 111.22 4.274 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.878 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.992 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.878 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.861 0 O4'-C1'-N19 110.65 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.884 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.991 0 O4'-C1'-N19 110.813 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.884 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.818 1 O4'-C1'-N19 111.017 4.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.759 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.852 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.852 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.717 0 O4'-C1'-N19 110.8 3.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.651 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.824 0 O4'-C1'-N19 110.797 3.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.75 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 P--O5' 1.61 1.662 1 O4'-C1'-N19 111.091 4.114 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.885 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.885 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.856 0 O4'-C1'-N19 110.97 3.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.897 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.854 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.897 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.862 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.826 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.826 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.802 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.459 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.802 0 O4'-C1'-N19 110.941 3.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 121.183 0.516 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.17 16.02 3.81 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.306 -0.871 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.26 -51.92 64.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 0.0 109.858 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.55 60.52 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.468 -0.77 . . . . 0.0 110.031 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 4.9 m95 -79.85 95.15 5.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.206 -0.934 . . . . 0.0 110.21 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.57 147.07 25.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.368 -0.832 . . . . 0.0 109.813 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -49.69 167.87 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.39 -0.819 . . . . 0.0 110.785 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.3 t -144.1 85.29 9.02 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 121.471 -0.768 . . . . 0.0 109.649 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.57 -8.67 24.15 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 O-C-N 123.872 1.459 . . . . 0.0 111.282 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . . . -60.79 -15.07 25.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.241 -0.912 . . . . 0.0 110.852 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -127.53 -67.64 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.017 -1.052 . . . . 0.0 110.668 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.57 -169.56 39.46 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 119.657 -1.259 . . . . 0.0 110.188 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.68 109.31 2.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.903 1.475 . . . . 0.0 110.752 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.757 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.19 -38.03 1.58 Allowed Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.542 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 78.4 m95 -65.29 140.75 58.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.54 -0.977 . . . . 0.0 111.304 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -132.1 149.11 52.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.735 -0.603 . . . . 0.0 109.404 179.338 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.26 142.38 47.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.258 -0.901 . . . . 0.0 110.573 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 34.1 ttp85 -137.57 132.27 32.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.604 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.55 136.99 38.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.211 -0.931 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 34' ' ' TYR . 22.3 t -120.5 100.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 109.978 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 22' ' ' ARG . 42.3 t80 -81.92 41.78 0.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.37 163.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.428 -0.795 . . . . 0.0 111.127 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.1 mmtt -129.63 -33.84 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 167.03 -165.59 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.293 -0.879 . . . . 0.0 110.799 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -69.42 0.47 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -172.41 -39.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.655 -0.909 . . . . 0.0 108.554 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.444 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 22.1 p -80.19 -0.18 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.626 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.548 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 10.0 t -42.58 133.9 3.27 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.597 -0.689 . . . . 0.0 111.738 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.02 -12.52 37.69 Favored Glycine 0 N--CA 1.493 2.488 0 C-N-CA 119.975 -1.107 . . . . 0.0 110.65 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 82.7 mtt180 -88.51 150.73 22.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.958 -1.319 . . . . 0.0 110.122 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 46.8 p -114.51 101.47 9.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.6 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.76 124.82 45.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.421 -0.799 . . . . 0.0 109.879 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 ' CE2' ' A' ' 35' ' ' TYR . 31.0 m -98.91 126.01 44.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 54.7 m-85 -110.61 158.14 18.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.554 -0.716 . . . . 0.0 109.722 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.487 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -140.28 145.73 37.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 110.566 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 62.9 tt0 -107.33 147.22 30.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 109.357 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -54.15 -176.47 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.533 -0.729 . . . . 0.0 110.43 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.757 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.6 Cg_endo -85.08 -10.29 8.13 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 O-C-N 123.588 1.309 . . . . 0.0 110.462 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -164.94 19.75 0.05 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 118.641 -1.223 . . . . 0.0 112.58 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.88 85.23 0.11 Allowed Glycine 0 N--CA 1.496 2.696 0 C-N-CA 118.966 -1.588 . . . . 0.0 112.117 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.22 116.12 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.511 -0.993 . . . . 0.0 109.167 178.078 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 120.74 24.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.303 -0.873 . . . . 0.0 111.28 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.432 HG13 ' CH2' ' A' ' 15' ' ' TRP . 42.7 mm -119.4 151.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.07 -18.07 4.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.032 -1.043 . . . . 0.0 111.629 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.551 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.6 OUTLIER -151.48 -160.24 1.13 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.944 -1.098 . . . . 0.0 111.134 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.51 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -76.52 -44.59 34.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.497 -0.752 . . . . 0.0 109.965 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.542 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 7.5 t -58.92 -58.7 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.0 109.174 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 4.0 tt0 -49.85 -39.01 37.7 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.445 -0.785 . . . . 0.0 109.212 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.526 ' CD1' ' CH2' ' A' ' 15' ' ' TRP . 64.4 tp -66.21 -42.12 89.19 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.0 m -66.4 -15.19 63.11 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.769 -0.582 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 5.1 mtp180 -78.29 -59.85 2.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 0.0 110.376 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 3.8 t80 -59.72 -23.73 63.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.322 -0.861 . . . . 0.0 110.283 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 49' ' ' LEU . 33.1 mt -88.89 3.75 50.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.596 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.14 154.62 30.06 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.01 -21.67 20.46 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.747 1.393 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.16 12.18 18.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.292 -0.88 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 t -121.72 67.59 0.91 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.154 -0.966 . . . . 0.0 110.097 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.07 170.47 2.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.346 -0.846 . . . . 0.0 110.272 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.5 mt -138.85 50.27 1.85 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.998 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -23.08 30.51 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.354 -0.841 . . . . 0.0 110.58 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -96.41 16.47 18.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.572 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 23.6 t80 -107.53 114.65 28.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.25 -0.906 . . . . 0.0 109.821 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.92 128.54 33.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.314 -0.866 . . . . 0.0 109.68 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.22 -57.2 9.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -58.28 -49.41 77.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.343 -0.848 . . . . 0.0 110.755 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.41 -51.92 18.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.305 -0.872 . . . . 0.0 110.371 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.45 44.33 7.46 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -146.69 155.34 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.414 -1.05 . . . . 0.0 110.316 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 7.8 mt -90.23 84.53 6.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 38.8 t -47.77 -27.07 1.83 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.5 -0.75 . . . . 0.0 110.672 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -119.19 128.16 26.09 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.057 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.88 -31.94 9.56 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.518 1.272 . . . . 0.0 110.435 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 56.51 173.25 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.409 -0.807 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.62 -51.69 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.8 1.421 . . . . 0.0 110.428 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.246 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.468 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C1'-N19 110.825 3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.861 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C1'-N19 110.638 3.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.861 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.812 0 O4'-C1'-N19 110.904 3.88 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.854 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.861 0 O4'-C1'-N19 110.654 3.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.854 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.863 1 O4'-C1'-N19 111.046 4.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.829 H5A2 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.791 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.714 1 O4'-C1'-N19 111.32 4.4 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.88 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.1 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.88 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 0 O4'-C1'-N19 110.742 3.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.864 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.95 0 O4'-C1'-N19 110.809 3.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.864 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.865 0 O4'-C1'-N19 110.95 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.442 ' C6 ' H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.788 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.43 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.726 0 O4'-C1'-N19 110.963 3.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.875 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.669 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.593 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.593 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.708 1 O4'-C1'-N19 111.357 4.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.879 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.879 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.84 1 O4'-C1'-N19 111.078 4.098 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.879 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C1'-N19 110.986 3.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.879 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.779 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.869 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.927 0 O4'-C1'-N19 110.795 3.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.835 0 O4'-C1'-N19 110.987 3.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.454 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.822 0 O4'-C1'-N19 110.934 3.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.309 0.576 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.31 -25.09 15.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 110.362 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -87.23 83.67 7.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.334 -0.854 . . . . 0.0 110.072 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.423 ' O ' ' CD1' ' A' ' 5' ' ' TRP . 2.8 p30 -145.7 -144.13 0.15 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.337 -0.852 . . . . 0.0 109.41 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.423 ' CD1' ' O ' ' A' ' 4' ' ' ASP . 56.9 m95 -154.36 107.17 2.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.097 -1.002 . . . . 0.0 110.119 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -108.49 160.25 16.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 0.0 109.897 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 166.04 3.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 51.9 t -143.96 87.33 8.07 Favored Pre-proline 0 N--CA 1.487 1.421 0 O-C-N 121.566 -0.709 . . . . 0.0 109.257 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.56 -2.48 10.82 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 O-C-N 124.106 1.582 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -58.96 -14.43 9.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.009 -1.057 . . . . 0.0 110.879 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 4.6 mp -130.23 -69.59 0.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.103 -0.998 . . . . 0.0 110.633 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.35 -164.75 28.37 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.52 139.75 28.92 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 O-C-N 123.879 1.463 . . . . 0.0 110.715 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.727 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 108.29 -37.48 3.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.499 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 57.0 m95 -59.25 137.84 57.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.549 -0.971 . . . . 0.0 111.344 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 140.78 46.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.596 -0.69 . . . . 0.0 109.224 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -123.38 148.02 46.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.175 -0.953 . . . . 0.0 111.003 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 33' ' ' THR . 17.0 ttt180 -135.91 143.39 44.94 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 109.911 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.27 129.61 46.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 110.236 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t -115.11 95.08 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.817 . . . . 0.0 109.975 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -79.86 51.35 1.31 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.315 -0.866 . . . . 0.0 110.54 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.585 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.2 OUTLIER 49.7 173.54 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.932 0.872 . . . . 0.0 111.404 179.38 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.5 ttmm -126.87 -41.11 1.84 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.52 -0.737 . . . . 0.0 109.145 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.8 p 163.7 -177.59 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.775 -0.578 . . . . 0.0 110.498 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.59 -96.56 0.84 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.37 -46.91 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.615 -0.932 . . . . 0.0 108.839 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.463 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 76.0 p -74.09 -5.64 42.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.934 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.547 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 28.1 p -40.47 144.92 0.2 Allowed 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.414 0.626 . . . . 0.0 111.947 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.46 -19.52 52.29 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -78.67 152.8 31.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -1.2 . . . . 0.0 110.309 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 t -118.2 105.28 11.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.405 -0.809 . . . . 0.0 110.209 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.474 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.4 m-20 -99.32 123.83 43.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.448 -0.783 . . . . 0.0 109.789 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 2.0 m -98.99 113.81 26.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.397 -0.814 . . . . 0.0 110.424 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 91.2 m-85 -107.37 143.03 36.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.565 -0.709 . . . . 0.0 109.498 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.422 ' OH ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.1 149.14 42.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.171 -0.955 . . . . 0.0 110.391 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -104.88 153.87 20.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.465 -0.772 . . . . 0.0 109.666 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.541 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 4.1 p -56.06 -175.1 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.508 -0.745 . . . . 0.0 110.249 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.727 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -82.91 -8.82 11.0 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.597 1.314 . . . . 0.0 111.269 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -168.58 22.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.19 -1.404 . . . . 0.0 113.12 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.84 77.22 0.03 OUTLIER Glycine 0 N--CA 1.498 2.774 0 C-N-CA 118.659 -1.734 . . . . 0.0 112.302 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.541 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.51 106.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.505 -0.997 . . . . 0.0 109.42 177.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -80.16 125.44 29.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.753 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.4 mp -112.79 145.58 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 109.537 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' HB3' ' C5A' ' C' ' 118' ' ' 5CM . 40.8 mtt180 -119.08 3.45 11.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.407 -0.808 . . . . 0.0 110.454 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 1.039 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -169.64 -165.66 0.52 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.169 -0.957 . . . . 0.0 110.393 -179.335 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 45' ' ' SER . 5.7 ttpt -78.57 -40.8 33.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.387 -0.821 . . . . 0.0 108.796 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 39.7 t -58.74 -52.29 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.34 -0.85 . . . . 0.0 108.844 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 4.9 mm-40 -51.34 -37.85 49.99 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 2.4 tp -67.37 -44.94 77.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.1 m -63.42 -17.23 62.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.753 -0.592 . . . . 0.0 110.105 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 8.1 mtt-85 -76.83 -60.66 2.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 110.454 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 3.5 t80 -58.88 -21.07 56.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.324 -0.86 . . . . 0.0 110.373 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.3 mt -92.24 -18.24 23.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.39 156.65 18.63 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.55 -19.25 32.58 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.877 1.461 . . . . 0.0 110.454 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.08 14.03 17.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.878 . . . . 0.0 110.305 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.5 m -120.47 67.98 0.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 110.026 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.71 159.4 5.26 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.331 -0.856 . . . . 0.0 110.352 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.7 mt -140.66 50.36 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.481 -0.762 . . . . 0.0 110.106 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -27.37 69.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.225 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' CD2' ' CE1' ' A' ' 71' ' ' TYR . 4.5 mt -77.67 -19.07 55.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.383 -0.823 . . . . 0.0 110.484 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 34.1 t80 -68.84 147.11 52.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 110.278 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.27 117.74 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.412 -0.805 . . . . 0.0 110.165 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 51.7 t80 -58.07 -30.37 66.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.45 -0.781 . . . . 0.0 110.262 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -90.35 -63.88 1.21 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.482 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -60.37 -35.92 76.85 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.325 -0.859 . . . . 0.0 110.581 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.63 42.79 31.47 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -145.19 159.78 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.429 -1.042 . . . . 0.0 110.201 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mt -83.8 73.16 10.33 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.476 -0.765 . . . . 0.0 110.046 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.5 t -91.92 -138.56 0.17 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.391 -0.818 . . . . 0.0 110.052 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.456 ' CE1' ' CD2' ' A' ' 61' ' ' LEU . 6.7 m-85 -144.53 68.59 15.0 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.189 -0.944 . . . . 0.0 110.297 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.34 73.67 2.69 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 O-C-N 123.693 1.365 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 52.18 83.01 0.23 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.323 -0.861 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.53 152.66 54.47 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 O-C-N 123.769 1.405 . . . . 0.0 110.513 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.186 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.495 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.701 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.858 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.966 0 O4'-C1'-N19 110.492 3.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.858 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.687 0 O4'-C1'-N19 110.873 3.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.835 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.835 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.627 0 O4'-C1'-N19 110.783 3.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.859 H5A3 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.798 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.915 1 O4'-C1'-N19 111.237 4.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.856 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C1'-N19 110.983 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.856 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 1.964 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.853 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.991 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.853 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.792 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.448 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.759 0 O4'-C1'-N19 110.891 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.833 0 O4'-C1'-N19 110.803 3.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.833 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.031 0 O4'-C1'-N19 110.547 3.434 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.833 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.618 0 O4'-C1'-N19 110.836 3.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.665 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.691 1 O4'-C1'-N19 111.06 4.075 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 1.039 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.524 1.642 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.848 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.848 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.902 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.931 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.902 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.897 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.895 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C1'-N19 110.836 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.895 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.823 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.444 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.766 0 O4'-C1'-N19 110.895 3.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.218 0.533 . . . . 0.0 110.149 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.84 100.44 13.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 110.203 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -79.26 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.362 -0.836 . . . . 0.0 110.18 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.93 116.63 0.29 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.261 -0.9 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 25.3 m95 -104.25 115.06 29.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.326 -0.859 . . . . 0.0 109.972 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 mt -102.6 160.59 14.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.375 -0.828 . . . . 0.0 110.188 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.3 175.81 1.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.185 -0.947 . . . . 0.0 110.422 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.92 87.33 5.45 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.437 -0.79 . . . . 0.0 109.572 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -72.89 -5.69 17.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.903 1.475 . . . . 0.0 111.685 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' ' CA ' ' A' ' 68' ' ' ILE . . . -52.24 -63.97 0.97 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.202 -0.936 . . . . 0.0 110.917 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 2.8 mp -79.68 -57.74 3.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.387 -0.82 . . . . 0.0 110.472 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 -171.56 44.22 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.33 97.78 1.05 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.9 1.474 . . . . 0.0 110.708 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.798 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 162.5 -31.23 0.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 60.4 m95 -75.08 158.94 32.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.516 -0.991 . . . . 0.0 111.817 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 22.3 mmtt -138.84 149.82 45.34 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.46 145.14 47.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.164 -0.96 . . . . 0.0 110.762 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.457 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -140.13 134.89 31.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.698 -0.627 . . . . 0.0 109.412 179.355 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.5 122.89 43.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.195 -0.941 . . . . 0.0 110.16 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 34' ' ' TYR . 16.5 t -108.64 96.87 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.534 -0.729 . . . . 0.0 110.406 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.1 t80 -84.9 42.97 0.96 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.327 -0.858 . . . . 0.0 109.951 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.3 OUTLIER 50.83 165.06 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.643 0.735 . . . . 0.0 111.033 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -131.8 -33.63 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.013 . . . . 0.0 110.481 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 3.0 t 169.94 -173.38 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.365 -0.834 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.504 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 105.76 -95.01 1.03 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.22 -41.75 0.23 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.43 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 39.8 p -76.71 -1.03 25.87 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.905 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.549 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.3 p -44.23 135.02 4.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.544 -0.723 . . . . 0.0 111.661 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.51 -12.77 36.06 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.024 -1.084 . . . . 0.0 110.581 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 12.4 mtt180 -89.28 150.31 22.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.026 -1.279 . . . . 0.0 110.369 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 79.9 p -116.91 105.98 12.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -110.01 128.47 55.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 109.983 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 35' ' ' TYR . 29.9 m -99.54 122.47 42.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 0.0 110.187 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' CD1' HG21 ' A' ' 20' ' ' VAL . 42.2 m-85 -105.1 158.83 16.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.439 -0.788 . . . . 0.0 109.467 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 33' ' ' THR . 0.4 OUTLIER -140.27 143.8 36.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.111 -0.993 . . . . 0.0 110.975 -179.23 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.449 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -99.77 145.44 27.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.15 178.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.538 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -53.25 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.54 -0.725 . . . . 0.0 110.906 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.798 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.3 Cg_endo -81.86 -8.73 12.16 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.538 1.283 . . . . 0.0 111.431 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -159.96 -7.21 0.06 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.196 -1.402 . . . . 0.0 113.206 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.61 82.01 0.04 OUTLIER Glycine 0 N--CA 1.497 2.713 0 C-N-CA 118.53 -1.795 . . . . 0.0 111.978 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.538 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 t70 172.89 118.48 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.597 -0.943 . . . . 0.0 108.927 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.51 136.35 36.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.26 -0.9 . . . . 0.0 110.883 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.423 ' CG1' ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -128.5 160.31 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.427 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' CB ' H5A2 ' C' ' 118' ' ' 5CM . 1.4 mtt180 -140.6 3.68 1.9 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.507 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 2.1 m -163.58 -169.36 1.91 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.871 -1.143 . . . . 0.0 110.594 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 15.4 ttpt -79.92 -45.96 17.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 109.471 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.49 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 30.8 t -55.13 -45.94 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -54.12 -37.07 63.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.138 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.488 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -69.51 -47.71 62.94 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.325 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -58.53 -21.67 53.01 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.187 0.518 . . . . 0.0 110.028 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.4 mtt180 -74.53 -55.46 5.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 110.204 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.495 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -66.12 -12.8 58.1 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.459 -0.776 . . . . 0.0 110.771 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.9 mt -104.2 -1.22 27.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 110.875 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.17 154.12 23.21 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.39 -24.45 26.78 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.759 1.4 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.24 21.93 9.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.306 -0.871 . . . . 0.0 110.126 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -116.12 62.97 0.7 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 0.0 110.077 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 160.38 7.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.52 67.62 1.4 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.471 -0.768 . . . . 0.0 110.076 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -8.87 57.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.505 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mt -99.25 -19.34 17.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.947 . . . . 0.0 110.569 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -73.9 129.84 38.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.321 -0.862 . . . . 0.0 110.111 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.8 t0 -92.67 122.77 35.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.07 -59.04 6.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.367 -0.833 . . . . 0.0 110.329 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.2 -58.11 9.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.389 -0.819 . . . . 0.0 111.074 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.435 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 27.3 mt-30 -66.04 -55.94 14.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.163 -0.961 . . . . 0.0 110.569 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.78 50.92 2.77 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.428 ' CA ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 pt -147.45 157.67 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.408 -1.054 . . . . 0.0 110.261 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mt -106.53 84.65 2.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 109.901 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 14.0 m -51.38 -51.6 53.2 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.426 -0.796 . . . . 0.0 110.541 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.3 t80 51.94 56.72 16.01 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.357 -0.839 . . . . 0.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.17 -165.04 0.19 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.804 1.423 . . . . 0.0 110.463 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.94 149.62 32.83 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.374 -0.829 . . . . 0.0 110.403 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.28 -170.79 0.69 Allowed 'Trans proline' 0 C--N 1.31 -1.476 0 O-C-N 123.77 1.405 . . . . 0.0 110.434 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.204 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.456 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.737 0 O4'-C1'-N19 110.797 3.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.847 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.444 1.855 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.847 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.706 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.856 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.853 0 O4'-C1'-N19 110.582 3.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.856 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.757 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.85 H5A2 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.77 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.721 1 O4'-C1'-N19 111.349 4.436 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.874 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.835 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.874 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.827 0 O4'-C1'-N19 110.686 3.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.838 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.943 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.838 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.891 1 O4'-C1'-N19 111.059 4.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.755 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.477 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.783 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.873 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.96 0 O4'-C1'-N19 110.554 3.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.693 0 O4'-C1'-N19 110.854 3.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.683 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.7 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.79 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.725 1 O4'-C1'-N19 111.203 4.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.827 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.827 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.888 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.901 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.731 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.901 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.879 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.879 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.784 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.446 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.765 0 O4'-C1'-N19 110.98 3.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.115 0.483 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . -76.43 97.79 4.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.442 -0.786 . . . . 0.0 110.076 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.29 -79.35 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.512 -0.742 . . . . 0.0 110.265 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -172.61 101.96 0.15 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.284 -0.885 . . . . 0.0 110.102 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.434 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 23.0 m95 -85.23 123.42 30.7 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.382 -0.824 . . . . 0.0 110.227 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.66 160.56 16.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.853 . . . . 0.0 110.147 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -72.35 173.27 8.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.209 -0.932 . . . . 0.0 110.393 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.18 89.14 4.61 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.42 -0.8 . . . . 0.0 109.685 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -72.34 -4.95 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 O-C-N 123.992 1.522 . . . . 0.0 111.616 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . . . -59.63 -16.01 23.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.069 -1.02 . . . . 0.0 110.991 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' CD2' ' CZ2' ' A' ' 15' ' ' TRP . 0.9 OUTLIER -126.5 -69.3 0.77 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.985 -1.072 . . . . 0.0 110.417 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.22 -162.4 27.93 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.11 141.49 32.77 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.829 1.436 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.8 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 106.21 -30.42 9.65 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 50.8 m95 -66.86 140.72 57.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.44 -1.035 . . . . 0.0 111.664 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -140.13 147.64 40.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.764 -0.585 . . . . 0.0 109.441 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HG3' ' CD2' ' A' ' 35' ' ' TYR . 60.2 ttp180 -125.38 150.37 47.29 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 110.586 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 45.3 ttp85 -140.11 140.77 36.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.541 -0.724 . . . . 0.0 109.579 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.91 137.73 37.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 34' ' ' TYR . 24.6 t -121.57 98.04 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.892 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.3 m-85 -80.1 46.16 0.79 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.163 -0.961 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.556 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.82 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.259 -0.9 . . . . 0.0 111.086 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -131.71 -33.42 1.41 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 0.0 110.638 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 167.58 -165.65 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.275 -0.89 . . . . 0.0 110.944 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.87 -73.84 0.47 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.88 -40.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.454 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 24.0 p -77.63 -1.47 31.07 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.606 178.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.556 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 11.9 t -41.47 133.33 2.57 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.575 -0.703 . . . . 0.0 111.721 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.47 -15.4 29.8 Favored Glycine 0 N--CA 1.493 2.493 0 C-N-CA 120.011 -1.09 . . . . 0.0 110.751 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 80.0 mtt180 -83.96 166.41 17.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.313 . . . . 0.0 110.301 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.1 p -127.0 103.19 7.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.428 -0.795 . . . . 0.0 110.624 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.8 m-20 -99.98 122.17 42.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.496 -0.753 . . . . 0.0 109.786 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.409 HG22 ' CE2' ' A' ' 35' ' ' TYR . 90.7 m -99.01 120.96 40.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 110.078 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.435 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 73.2 m-85 -106.6 160.43 15.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.506 -0.746 . . . . 0.0 109.713 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -138.85 150.53 46.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.028 -1.045 . . . . 0.0 110.865 -179.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.95 138.42 50.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.56 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 4.3 m -53.26 176.31 0.1 Allowed Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 110.288 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.8 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.2 Cg_endo -82.39 0.23 9.85 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.308 1.162 . . . . 0.0 112.259 -178.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -165.39 20.28 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.872 -1.531 . . . . 0.0 113.024 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.47 80.04 0.17 Allowed Glycine 0 N--CA 1.495 2.594 0 C-N-CA 118.925 -1.607 . . . . 0.0 112.337 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.56 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 178.06 116.8 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.485 -1.009 . . . . 0.0 109.519 177.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -79.86 137.93 37.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.387 -0.821 . . . . 0.0 110.712 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' A' ' 48' ' ' GLU . 28.3 mt -140.18 150.92 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.509 -0.744 . . . . 0.0 109.413 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.419 ' HB2' ' C5A' ' C' ' 118' ' ' 5CM . 0.1 OUTLIER -127.69 -2.74 6.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 111.353 -178.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.527 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 21.3 m -159.15 -166.73 1.9 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.137 . . . . 0.0 110.429 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 18.5 ttpt -77.08 -47.16 21.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.223 -0.923 . . . . 0.0 110.058 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.541 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.8 t -51.8 -49.38 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 108.785 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -51.57 -36.18 44.31 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.264 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.491 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -67.14 -44.29 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.035 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.6 m -63.3 -17.51 62.61 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.089 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 15.2 mtp180 -77.84 -63.93 1.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.279 -0.888 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.521 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 4.1 t80 -57.93 -27.38 63.32 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.306 -0.871 . . . . 0.0 110.23 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.5 mt -83.42 1.8 39.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.393 -0.817 . . . . 0.0 110.439 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.52 154.29 30.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -75.12 -3.87 14.55 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.722 1.38 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.54 -11.71 19.06 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.59 -166.09 0.05 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.027 -1.046 . . . . 0.0 110.244 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.55 129.84 1.04 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.7 mt -133.71 43.44 2.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.386 -0.821 . . . . 0.0 109.817 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -21.22 59.88 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.481 -0.762 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.36 -20.1 20.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.4 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' A' ' 10' ' ' ALA . 27.6 t80 -61.22 135.57 57.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.232 -0.918 . . . . 0.0 110.217 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.9 t70 -101.63 135.9 42.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.478 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 63.7 t80 -74.97 -66.66 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 110.848 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -28.93 23.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 111.26 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.428 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 41.2 mt-30 -96.3 -47.98 5.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.176 -0.952 . . . . 0.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.99 47.7 6.08 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -145.46 159.64 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.311 -1.111 . . . . 0.0 110.184 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' TYR . 4.6 mt -88.26 80.4 7.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 110.063 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.8 t -47.36 91.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.546 0.688 . . . . 0.0 110.659 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' LEU . 91.5 m-85 -44.29 160.02 0.24 Allowed Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.86 -0.525 . . . . 0.0 110.944 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.69 146.72 43.82 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 O-C-N 123.968 1.51 . . . . 0.0 110.469 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.82 156.32 29.66 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.426 -0.796 . . . . 0.0 110.19 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -72.48 -82.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.688 1.362 . . . . 0.0 110.65 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.265 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.459 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.809 0 O4'-C1'-N19 110.964 3.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.874 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.874 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.745 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.65 ' OP2' ' H72' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.078 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.648 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.989 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.759 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.791 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.826 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.887 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.926 1 O4'-C1'-N19 111.242 4.303 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.887 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.9 0 O4'-C1'-N19 110.607 3.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.852 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.443 1.796 0 O4'-C1'-N19 110.75 3.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.852 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.799 0 O4'-C1'-N19 110.974 3.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.872 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.465 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.832 1 O4'-C1'-N19 111.026 4.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.855 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.734 0 O4'-C1'-N19 110.544 3.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.855 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.677 0 O4'-C1'-N19 110.72 3.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.682 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.682 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.742 1 O4'-C1'-N19 111.178 4.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.853 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.853 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.862 0 O4'-C1'-N19 110.861 3.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.86 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O4'-C1'-N19 110.797 3.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.86 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.889 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.897 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C1'-N19 110.713 3.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.897 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.827 0 O4'-C1'-N19 110.943 3.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.448 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.741 0 O4'-C1'-N19 110.894 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.16 0.505 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.96 114.19 18.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.387 -0.821 . . . . 0.0 110.207 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -64.77 0.8 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.389 -0.819 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -168.82 79.84 0.13 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.396 -0.815 . . . . 0.0 110.125 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.428 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 24.1 m95 -81.77 110.49 17.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 148.47 26.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.411 -0.805 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.17 159.9 1.75 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 110.642 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.84 80.73 48.45 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.502 -0.749 . . . . 0.0 109.564 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -70.47 -5.21 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 O-C-N 123.961 1.506 . . . . 0.0 111.371 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -15.65 11.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.244 -0.91 . . . . 0.0 111.027 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.1 mp -126.9 -69.1 0.77 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.001 -1.062 . . . . 0.0 110.614 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.28 -178.77 38.7 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.55 91.6 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.858 1.452 . . . . 0.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.772 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 164.31 -31.08 0.25 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.509 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 78.2 m95 -72.68 143.74 47.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.485 -1.009 . . . . 0.0 111.469 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -130.97 153.34 49.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.2 148.68 52.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 110.569 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -139.92 160.19 40.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.21 -0.931 . . . . 0.0 110.173 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.15 131.18 55.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.377 -0.827 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -118.37 95.26 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -83.52 42.41 0.83 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.498 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.568 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.37 169.66 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.357 -0.84 . . . . 0.0 111.172 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.2 tppt? -137.76 -32.32 0.75 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.121 -0.987 . . . . 0.0 110.698 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.499 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 6.2 t 169.13 -170.76 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.441 -0.787 . . . . 0.0 110.677 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 104.0 -76.43 0.27 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.16 -40.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.96 . . . . 0.0 108.581 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.433 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 29.9 p -78.5 0.94 24.04 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.539 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.21 135.27 3.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.612 -0.68 . . . . 0.0 111.798 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 -14.21 39.57 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.702 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 54.3 mtt180 -86.03 143.58 28.03 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.029 -1.277 . . . . 0.0 110.278 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 56.7 p -113.17 102.07 10.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.438 -0.789 . . . . 0.0 110.46 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.35 131.35 51.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.772 . . . . 0.0 109.957 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.411 ' O ' ' CE1' ' A' ' 35' ' ' TYR . 24.8 m -99.28 121.73 41.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.463 ' CD1' HG21 ' A' ' 20' ' ' VAL . 33.5 m-85 -103.08 157.96 16.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.889 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -140.2 155.12 47.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.214 -0.929 . . . . 0.0 110.264 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 29.2 tt0 -115.21 148.73 38.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.846 . . . . 0.0 109.453 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.573 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -54.28 -174.9 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.501 -0.749 . . . . 0.0 110.465 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.772 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 51.4 Cg_endo -81.5 -20.49 6.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 O-C-N 123.483 1.254 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -156.53 15.06 0.3 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.386 -1.325 . . . . 0.0 113.061 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 151.78 83.13 0.04 OUTLIER Glycine 0 N--CA 1.497 2.753 0 C-N-CA 118.492 -1.813 . . . . 0.0 112.426 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.573 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.27 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.68 -0.894 . . . . 0.0 109.202 177.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 118.44 35.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.26 -0.9 . . . . 0.0 111.205 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG12 ' CH2' ' A' ' 15' ' ' TRP . 1.2 mp -108.47 148.91 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HB3' H5A2 ' C' ' 118' ' ' 5CM . 33.1 mtt180 -132.71 1.91 3.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 111.13 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -166.44 -165.73 0.8 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.891 -1.13 . . . . 0.0 110.967 -179.778 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.54 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -71.37 -52.31 19.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.287 -0.883 . . . . 0.0 109.531 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.5 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 5.7 t -52.24 -57.79 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.592 -0.693 . . . . 0.0 109.378 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -47.99 -46.86 33.15 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.672 0.749 . . . . 0.0 109.62 179.082 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 ' CZ3' ' A' ' 15' ' ' TRP . 61.5 tp -63.73 -47.13 82.33 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.726 0.774 . . . . 0.0 109.002 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -61.2 -15.47 34.54 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.691 -0.631 . . . . 0.0 110.324 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.4 mtt180 -79.68 -62.68 1.61 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.117 -0.989 . . . . 0.0 110.73 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 17.6 t80 -53.15 -27.95 23.63 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.216 -0.927 . . . . 0.0 110.56 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD13 ' HG ' ' A' ' 49' ' ' LEU . 16.4 mt -80.63 -6.65 58.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.372 -0.83 . . . . 0.0 110.826 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.94 156.95 28.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.61 -20.79 26.4 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.959 1.505 . . . . 0.0 110.394 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.66 25.97 4.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 m -127.88 115.24 18.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.54 161.6 13.97 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.34 -0.85 . . . . 0.0 110.213 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.414 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 29.1 mt -134.63 68.41 1.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -13.64 62.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.326 -0.859 . . . . 0.0 110.605 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.5 mt -109.61 16.79 21.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.214 -0.929 . . . . 0.0 110.633 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.441 ' CZ ' HD23 ' A' ' 49' ' ' LEU . 92.4 t80 -99.66 114.31 27.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.21 -0.931 . . . . 0.0 110.297 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.16 112.31 20.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.359 -0.838 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.81 -55.67 18.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 56.97 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.543 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -176.81 -55.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.348 -0.845 . . . . 0.0 110.128 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.83 52.07 3.8 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.401 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 1.2 pp -159.0 154.45 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.332 -1.099 . . . . 0.0 110.493 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' CYS . 6.4 mt -94.57 84.99 4.39 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' LEU . 4.1 t -34.79 -50.48 0.47 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.687 -0.633 . . . . 0.0 111.76 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.428 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 0.5 OUTLIER 55.86 173.86 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.224 -0.923 . . . . 0.0 110.367 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.428 ' HD2' ' CD2' ' A' ' 71' ' ' TYR . 47.4 Cg_endo -74.75 157.88 43.51 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.717 1.377 . . . . 0.0 110.486 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 52.23 93.24 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.331 -0.856 . . . . 0.0 110.631 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.6 158.46 50.76 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 O-C-N 123.793 1.417 . . . . 0.0 110.364 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.8 pttt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.266 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.437 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.831 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.939 0 O4'-C1'-N19 110.398 3.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.831 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.79 1 O4'-C1'-N19 111.01 4.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.831 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.909 0 O4'-C1'-N19 110.577 3.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.831 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.801 1 O4'-C1'-N19 111.096 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.843 H5A3 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.814 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.441 1.613 1 O4'-C1'-N19 111.362 4.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.869 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.875 1 O4'-C1'-N19 111.036 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.892 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.876 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.876 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.791 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.81 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.595 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.767 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.874 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.899 0 O4'-C1'-N19 110.657 3.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.874 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.714 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.52 H2'' ' C6 ' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 P--O5' 1.61 1.699 1 O4'-C1'-N19 111.114 4.143 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.69 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.78 1 O4'-C1'-N19 111.302 4.377 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.849 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.849 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.875 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.784 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.879 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.879 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C1'-N19 110.762 3.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.879 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.83 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.439 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.81 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.265 0.555 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.67 45.41 0.1 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.359 -0.838 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -91.05 -27.58 18.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.391 -0.818 . . . . 0.0 110.36 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 55.38 107.24 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.458 -0.776 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.45 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 36.0 m95 -79.58 135.09 36.51 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.374 -0.828 . . . . 0.0 109.972 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.43 160.86 19.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.389 -0.82 . . . . 0.0 110.199 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.26 179.68 0.93 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.224 -0.922 . . . . 0.0 110.225 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB3' ' CB ' ' A' ' 15' ' ' TRP . 50.8 t -153.6 88.27 3.67 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.409 -0.807 . . . . 0.0 109.813 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -73.2 -5.27 16.88 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.887 1.467 . . . . 0.0 111.67 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . . . -57.61 -19.2 24.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.016 . . . . 0.0 111.167 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 HD13 ' CE2' ' A' ' 15' ' ' TRP . 1.2 mt -134.75 -61.93 0.75 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.066 -1.021 . . . . 0.0 110.462 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.09 -174.95 31.57 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -83.04 23.26 0.83 Allowed 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.685 1.361 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.769 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . -113.33 -24.23 4.84 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.532 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 47.9 m95 -75.97 155.26 35.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.417 -1.049 . . . . 0.0 111.776 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 4.6 tptt -137.68 143.75 41.46 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -120.68 135.27 55.17 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.1 -1.0 . . . . 0.0 110.987 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 40.9 ttp85 -130.47 133.87 46.63 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.57 145.9 27.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.107 -0.996 . . . . 0.0 110.413 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 32' ' ' ASP . 13.7 t -130.69 106.06 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.497 -0.752 . . . . 0.0 110.08 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.6 t80 -83.58 50.19 1.74 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.132 -0.98 . . . . 0.0 110.372 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.603 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.3 OUTLIER 48.66 -179.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 111.126 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 24' ' ' SER . 0.0 OUTLIER -143.35 -42.06 0.29 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.343 -0.848 . . . . 0.0 110.225 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.528 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 54.8 p 177.15 -163.43 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.29 -0.881 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.0 -91.5 1.31 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.62 -41.98 0.14 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.927 0.87 . . . . 0.0 108.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.429 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 40.9 p -76.4 -1.61 27.82 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.171 0.51 . . . . 0.0 109.967 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.558 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 41.7 t -43.97 139.22 2.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.457 -0.777 . . . . 0.0 111.835 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.41 -13.8 54.55 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.662 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 55.9 mtt180 -88.93 157.03 18.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.268 . . . . 0.0 110.454 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -112.16 129.13 56.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.401 -0.812 . . . . 0.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.458 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.5 m-20 -119.98 126.15 50.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.423 -0.798 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 35' ' ' TYR . 3.1 m -99.52 112.11 24.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -0.799 . . . . 0.0 110.335 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 87.9 m-85 -107.88 146.19 32.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.589 -0.694 . . . . 0.0 109.297 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.418 ' CE1' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -140.07 151.76 45.64 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.964 -1.085 . . . . 0.0 110.658 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.369 -0.832 . . . . 0.0 109.829 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.487 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -53.63 -176.39 0.03 OUTLIER Pre-proline 0 N--CA 1.496 1.875 0 O-C-N 121.731 -0.606 . . . . 0.0 110.478 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.769 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.0 Cg_endo -80.47 -24.38 5.34 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 123.499 1.263 . . . . 0.0 111.19 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.0 t -149.88 5.86 0.6 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.359 -1.336 . . . . 0.0 113.145 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.05 82.65 0.04 OUTLIER Glycine 0 N--CA 1.496 2.684 0 C-N-CA 118.42 -1.848 . . . . 0.0 112.073 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.37 127.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.411 -1.052 . . . . 0.0 110.275 178.039 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 119.78 24.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.436 -0.79 . . . . 0.0 109.881 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' CH2' ' A' ' 15' ' ' TRP . 45.9 mm -122.3 154.3 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.829 . . . . 0.0 109.752 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -134.96 -15.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 111.589 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.992 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.9 OUTLIER -145.1 -161.77 1.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.936 -1.102 . . . . 0.0 110.941 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' N ' ' OG ' ' A' ' 45' ' ' SER . 11.1 ttpt -78.97 -40.9 30.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.549 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 9.9 t -60.84 -59.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.391 -0.818 . . . . 0.0 109.291 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' HB2' ' P ' ' C' ' 118' ' ' 5CM . 2.9 tp10 -48.59 -37.28 17.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.43 -0.794 . . . . 0.0 109.304 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' CD1' ' CH2' ' A' ' 15' ' ' TRP . 3.3 tp -71.08 -47.82 56.11 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.3 m -56.05 -28.35 57.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.449 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.8 mtt180 -64.54 -55.74 18.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.407 -0.808 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.513 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 10.5 t80 -54.34 -25.15 22.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -0.821 . . . . 0.0 109.771 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD1' HD12 ' A' ' 49' ' ' LEU . 16.1 mt -88.92 -18.31 27.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.517 -0.739 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.8 156.15 8.84 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.15 -11.54 31.88 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.827 1.435 . . . . 0.0 110.627 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.89 26.69 9.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 109.987 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.1 m -115.21 77.97 1.12 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.26 166.83 20.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.852 . . . . 0.0 110.11 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.486 HD12 ' HG ' ' A' ' 49' ' ' LEU . 58.0 mt -143.91 65.69 1.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.819 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -17.89 54.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -0.788 . . . . 0.0 110.565 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.47 -34.08 17.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.639 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 36.3 t80 -63.68 119.34 9.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.207 -0.933 . . . . 0.0 110.143 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.36 143.1 32.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.405 -0.81 . . . . 0.0 110.214 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.429 ' CD1' ' OP2' ' C' ' 117' ' ' ' DC' . 57.6 t80 -82.93 -33.31 26.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.202 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -85.22 -30.75 23.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.27 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -95.91 -39.21 9.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.94 44.49 36.81 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.408 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.2 pt -144.5 160.1 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.386 -1.067 . . . . 0.0 110.196 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt -93.0 80.23 4.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.368 -0.832 . . . . 0.0 109.748 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.4 t -52.2 -22.12 4.03 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.358 -0.839 . . . . 0.0 110.777 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.44 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 0.6 OUTLIER 58.98 166.03 0.08 OUTLIER Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.207 -0.933 . . . . 0.0 110.315 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.44 ' HD2' ' CD2' ' A' ' 71' ' ' TYR . 44.8 Cg_endo -73.05 91.02 0.84 Allowed 'Trans proline' 0 C--N 1.309 -1.506 0 O-C-N 123.902 1.475 . . . . 0.0 110.382 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.75 75.86 30.31 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.31 -0.869 . . . . 0.0 110.197 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.72 111.79 3.33 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 O-C-N 123.697 1.367 . . . . 0.0 110.405 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.5 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.742 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.773 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.918 0 O4'-C1'-N19 110.272 3.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.773 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.568 0 O4'-C1'-N19 110.882 3.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.496 " C2'" ' C6 ' ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C1'-N19 110.607 3.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.602 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.948 1 O4'-C1'-N19 111.191 4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.836 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.797 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.717 1 O4'-C1'-N19 111.291 4.363 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.876 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.876 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.862 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.168 0 O4'-C1'-N19 110.772 3.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.862 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.779 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C1'-N19 110.964 3.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.544 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.896 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.857 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.99 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.857 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.71 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.641 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.044 1 O4'-C1'-N19 111.002 4.003 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.992 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C4'--C3' 1.511 -1.748 1 O4'-C1'-N19 111.149 4.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.811 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.811 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.839 3.798 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.891 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.887 0 O4'-C1'-N19 110.765 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.891 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.771 0 O4'-C1'-N19 110.783 3.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.887 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.083 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.887 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.972 1 O4'-C1'-N19 111.017 4.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.447 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.795 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 121.423 0.63 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.18 95.71 6.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.496 -0.753 . . . . 0.0 109.947 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -71.25 0.08 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.557 -0.714 . . . . 0.0 110.999 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -168.21 122.48 0.93 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.237 -0.914 . . . . 0.0 110.559 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -114.04 117.46 31.35 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.422 -0.799 . . . . 0.0 110.03 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.12 160.47 16.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.29 -0.881 . . . . 0.0 110.257 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.59 165.05 10.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.144 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -144.95 84.9 8.54 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.402 -0.811 . . . . 0.0 109.845 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.879 1.463 . . . . 0.0 111.436 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB1' ' N ' ' A' ' 68' ' ' ILE . . . -54.9 -25.56 29.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 110.782 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 0.9 OUTLIER -117.4 -69.53 0.85 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.372 -0.83 . . . . 0.0 110.514 -179.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.86 -170.93 36.39 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.18 110.95 3.16 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.881 1.464 . . . . 0.0 110.678 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.717 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.36 -39.72 1.4 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.501 ' CZ3' ' CD1' ' A' ' 49' ' ' LEU . 83.1 m95 -60.58 149.62 34.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.509 -0.995 . . . . 0.0 111.193 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -136.6 153.34 50.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.433 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' NH2' ' CE2' ' A' ' 35' ' ' TYR . 44.7 ttm-85 -124.68 142.39 51.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.612 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -137.18 137.18 38.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.675 -0.641 . . . . 0.0 109.291 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.5 133.48 43.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 110.245 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 34' ' ' TYR . 11.2 t -118.18 103.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.4 -0.812 . . . . 0.0 110.215 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.77 49.0 1.68 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.388 -0.82 . . . . 0.0 109.918 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.593 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER 48.56 175.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 111.413 179.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HB2' " O3'" ' B' ' 105' ' ' ' DC' . 7.0 tppt? -139.38 -37.58 0.5 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.459 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.4 OUTLIER 169.92 -172.33 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.348 -0.845 . . . . 0.0 110.881 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -94.57 1.09 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.76 -44.39 0.16 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.674 -0.898 . . . . 0.0 108.9 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.529 ' HB ' ' NH1' ' A' ' 22' ' ' ARG . 63.2 p -75.06 -4.1 36.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.885 -0.509 . . . . 0.0 109.782 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.593 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 48.5 t -47.54 150.76 0.91 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.524 -0.735 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.56 -19.99 48.3 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 55.7 mtt-85 -83.86 160.44 21.15 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.052 -1.263 . . . . 0.0 110.481 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 p -122.96 95.64 4.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.437 -0.789 . . . . 0.0 110.214 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -99.93 129.44 46.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.431 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 16.0 m -99.05 128.57 45.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.842 . . . . 0.0 110.225 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CD1' HG22 ' A' ' 20' ' ' VAL . 30.2 m-85 -108.53 154.23 22.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.485 -0.759 . . . . 0.0 109.621 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.503 ' CE2' ' NH2' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -140.16 148.42 41.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.062 -1.024 . . . . 0.0 110.827 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.16 151.32 25.56 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.525 -0.734 . . . . 0.0 109.755 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.515 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.2 p -56.78 -174.48 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.446 -0.784 . . . . 0.0 110.226 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.717 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.7 Cg_endo -83.64 -12.06 8.95 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.429 1.226 . . . . 0.0 111.71 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -167.65 39.7 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.41 -1.316 . . . . 0.0 112.623 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 123.55 86.05 0.73 Allowed Glycine 0 N--CA 1.495 2.592 0 C-N-CA 119.394 -1.384 . . . . 0.0 111.717 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.515 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 164.73 112.82 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.522 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.89 119.56 22.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.322 -0.861 . . . . 0.0 111.078 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.2 mp -110.96 145.85 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -126.52 -2.08 6.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.149 -0.97 . . . . 0.0 111.013 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.528 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -163.35 -162.19 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.009 -1.057 . . . . 0.0 110.564 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -78.08 -47.27 18.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.518 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 6.9 t -52.91 -50.24 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 108.789 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -52.68 -36.61 57.43 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.207 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.501 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 4.1 tp -67.46 -41.94 83.86 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -64.47 -21.76 66.76 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.831 -0.543 . . . . 0.0 109.808 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -71.89 -57.13 4.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -0.844 . . . . 0.0 110.074 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 12.5 t80 -58.2 -33.56 69.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.337 -0.852 . . . . 0.0 110.031 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.54 -15.94 55.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.447 -0.783 . . . . 0.0 110.506 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.87 156.67 17.92 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.77 -18.29 37.02 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 O-C-N 123.818 1.431 . . . . 0.0 110.44 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.32 24.6 6.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 0.0 109.994 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.8 m -131.44 92.5 3.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 110.163 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.68 166.07 21.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.32 -0.862 . . . . 0.0 110.324 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.0 mt -138.99 66.35 1.42 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 109.719 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -1.09 33.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.437 -0.789 . . . . 0.0 110.874 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.9 mt -115.49 3.24 14.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -0.996 . . . . 0.0 110.69 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -88.17 130.69 34.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 109.903 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -93.45 109.62 21.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -0.808 . . . . 0.0 109.871 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.414 ' CE2' ' OH ' ' A' ' 35' ' ' TYR . 20.5 t80 -56.71 -29.33 62.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.409 -0.807 . . . . 0.0 110.864 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -86.86 -47.07 9.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 111.179 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 13.6 mp0 -75.87 -54.58 6.69 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.435 ' CA ' ' CZ ' ' A' ' 17' ' ' ARG . . . 99.56 51.77 1.28 Allowed Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.43 HG22 ' HG2' ' A' ' 9' ' ' PRO . 5.6 pt -154.36 149.43 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -1.083 . . . . 0.0 110.169 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mt -98.07 78.93 2.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.9 -130.36 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.418 -0.801 . . . . 0.0 109.814 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.498 ' HB3' ' CD ' ' A' ' 72' ' ' PRO . 14.8 t80 -178.95 -57.59 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.004 -1.06 . . . . 0.0 110.424 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.498 ' CD ' ' HB3' ' A' ' 71' ' ' TYR . 42.1 Cg_endo -65.8 170.22 11.78 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.398 1.21 . . . . 0.0 110.599 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.54 99.85 6.92 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.439 -0.788 . . . . 0.0 110.203 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.19 106.19 2.0 Allowed 'Trans proline' 0 C--N 1.31 -1.461 0 O-C-N 123.674 1.355 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.485 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.621 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.73 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.849 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.444 1.808 0 O4'-C1'-N19 110.572 3.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.849 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.755 1 O4'-C1'-N19 111.001 4.002 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.841 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C1'-N19 110.767 3.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.841 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.753 0 O4'-C1'-N19 110.954 3.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.845 H5A2 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.663 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.825 1 O4'-C1'-N19 111.367 4.459 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.898 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.888 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.898 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.831 0 O4'-C1'-N19 110.679 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.894 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.873 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.894 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.822 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.458 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.781 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.446 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.746 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.853 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.054 0 O4'-C1'-N19 110.521 3.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.853 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C1'-N19 110.844 3.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.692 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.782 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.692 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.711 1 O4'-C1'-N19 111.074 4.092 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.87 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.87 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.871 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.861 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.76 0 O4'-C1'-N19 110.805 3.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.861 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.93 0 O4'-C1'-N19 110.722 3.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.845 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.988 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.845 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.445 1.891 1 O4'-C1'-N19 111.045 4.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.719 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.87 89.5 0.08 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.121 -0.987 . . . . 0.0 109.868 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -46.91 -75.55 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.692 -0.63 . . . . 0.0 110.651 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.26 89.36 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.331 -0.856 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -79.94 122.57 26.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.267 -0.896 . . . . 0.0 110.089 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 mt -110.49 160.18 16.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.417 -0.802 . . . . 0.0 110.278 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.35 -179.95 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.332 -0.855 . . . . 0.0 110.235 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.8 t -154.26 88.81 3.39 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -71.38 -6.77 19.88 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.934 1.491 . . . . 0.0 111.412 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 68' ' ' ILE . . . -57.28 -18.06 14.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.97 . . . . 0.0 110.816 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 4.0 mp -128.52 -68.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.103 -0.998 . . . . 0.0 110.495 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.18 -156.79 17.5 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.99 142.7 31.67 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.86 1.453 . . . . 0.0 110.959 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.8 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 99.66 -32.78 6.83 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 61.6 m95 -65.07 140.38 58.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.37 -1.077 . . . . 0.0 111.45 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -133.72 141.88 47.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.685 -0.634 . . . . 0.0 109.395 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.409 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.2 ppt_? -127.54 142.76 51.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.166 -0.959 . . . . 0.0 110.747 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -141.16 150.18 42.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.414 -0.804 . . . . 0.0 110.032 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.32 155.8 17.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 0.0 109.824 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG23 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -139.35 96.67 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.902 . . . . 0.0 109.856 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ARG . 27.7 t80 -79.74 48.74 0.97 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.174 -0.954 . . . . 0.0 110.719 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.572 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 49.61 176.86 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.297 -0.877 . . . . 0.0 110.89 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.518 ' HB2' " O3'" ' B' ' 105' ' ' ' DC' . 1.2 tppt? -144.17 -31.92 0.44 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 110.687 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.485 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.1 OUTLIER 171.09 -179.31 0.05 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.302 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.99 -95.26 0.94 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.66 -43.08 0.21 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.695 -0.886 . . . . 0.0 108.641 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.436 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 44.4 p -74.41 -2.37 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.872 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.572 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.67 136.66 3.32 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.477 -0.765 . . . . 0.0 111.599 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.21 -16.63 32.33 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.103 -1.046 . . . . 0.0 110.575 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -84.08 164.05 19.47 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.109 -1.23 . . . . 0.0 110.467 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 1.3 t -126.58 107.68 10.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -108.85 127.37 53.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 110.091 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.9 m -98.87 123.2 42.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.416 -0.802 . . . . 0.0 109.942 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 72.0 m-85 -109.47 154.43 22.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.464 -0.772 . . . . 0.0 109.898 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -140.21 151.34 45.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.355 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -112.11 147.69 35.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.377 -0.827 . . . . 0.0 109.348 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 32.4 p -53.97 179.57 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.324 -0.86 . . . . 0.0 109.987 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.8 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.2 Cg_endo -85.74 -1.08 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 123.421 1.222 . . . . 0.0 111.805 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.04 15.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.948 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 140.54 82.52 0.08 OUTLIER Glycine 0 N--CA 1.496 2.667 0 C-N-CA 118.828 -1.653 . . . . 0.0 112.069 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.32 113.64 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.663 -0.904 . . . . 0.0 109.087 178.024 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.4 mmm-85 -79.7 116.42 19.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.276 -0.89 . . . . 0.0 111.034 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 48' ' ' GLU . 48.3 mm -105.53 151.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.63 -0.669 . . . . 0.0 109.267 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -126.97 -24.25 3.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 111.112 -179.143 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.458 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 1.4 m -142.09 -160.26 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.982 . . . . 0.0 110.603 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 11.9 ttpt -80.15 -46.54 16.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.216 -0.927 . . . . 0.0 110.043 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.497 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 29.2 t -55.18 -53.38 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.948 . . . . 0.0 109.266 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -50.27 -37.97 38.73 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.771 0.796 . . . . 0.0 108.877 178.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 1.4 tp -69.22 -47.56 64.43 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.0 m -61.19 -17.29 52.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.744 -0.597 . . . . 0.0 110.282 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.3 mtm180 -79.06 -61.3 2.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.264 -0.897 . . . . 0.0 110.491 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 2.8 t80 -57.55 -20.63 33.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.369 -0.832 . . . . 0.0 110.695 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 HD13 ' HG ' ' A' ' 49' ' ' LEU . 42.6 mt -93.08 -3.47 54.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.225 -0.922 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.61 157.9 33.69 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.49 -22.81 24.25 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 O-C-N 123.831 1.437 . . . . 0.0 110.506 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.32 -10.51 59.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.304 -0.872 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.32 82.82 1.79 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 110.441 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.85 159.83 33.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.7 mt -138.36 67.04 1.42 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 0.0 110.048 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.86 1.68 38.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.375 -0.828 . . . . 0.0 110.575 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -112.38 -24.44 9.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.154 -0.966 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -55.41 144.53 25.18 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.363 -0.836 . . . . 0.0 110.355 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.6 t70 -110.25 119.77 40.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.507 -0.746 . . . . 0.0 109.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -67.4 -32.66 73.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.611 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.66 22.06 3.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 52.0 mt-30 -151.06 -41.03 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.106 -0.997 . . . . 0.0 110.394 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.03 53.35 3.51 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.4 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.8 pp -156.06 159.42 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.519 -0.989 . . . . 0.0 110.351 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.591 ' O ' ' C ' ' A' ' 70' ' ' CYS . 5.2 mt -98.53 79.26 2.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.464 -0.772 . . . . 0.0 110.009 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.591 ' C ' ' O ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -8.23 -70.23 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 35.1 p90 -162.73 117.82 1.19 Allowed Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.169 -0.957 . . . . 0.0 110.47 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.46 -19.24 19.47 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.62 1.326 . . . . 0.0 110.296 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' CB ' ' CD ' ' A' ' 74' ' ' PRO . . . -172.24 -59.86 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.351 -0.843 . . . . 0.0 110.343 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 73' ' ' ALA . 46.1 Cg_endo -71.99 131.46 18.21 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 123.382 1.201 . . . . 0.0 110.396 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.267 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.436 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.817 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.828 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.998 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.828 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.704 0 O4'-C1'-N19 110.941 3.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.837 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C1'-N19 110.613 3.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.837 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.723 1 O4'-C1'-N19 111.12 4.15 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.768 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.807 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.82 1 O4'-C1'-N19 111.269 4.336 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.911 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.965 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.911 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.928 0 O4'-C1'-N19 110.787 3.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.867 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.735 3.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.867 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.786 1 O4'-C1'-N19 111.033 4.041 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.431 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.713 0 O4'-C1'-N19 110.998 3.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.417 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.638 0 O4'-C1'-N19 110.836 3.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.845 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.959 0 O4'-C1'-N19 110.746 3.682 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.845 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.795 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.529 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.722 0 O4'-C1'-N19 110.694 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.583 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 P--O5' 1.61 1.694 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.888 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.888 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.828 1 O4'-C1'-N19 111.019 4.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.873 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.814 0 O4'-C1'-N19 110.741 3.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.876 0 O4'-C1'-N19 110.765 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.844 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C1'-N19 110.748 3.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.844 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.773 0 O4'-C1'-N19 110.772 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.437 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.798 0 O4'-C1'-N19 110.948 3.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.204 0.526 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.5 -44.34 58.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.383 -0.823 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 77.2 mm-40 -107.59 -12.59 15.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.378 -0.826 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.9 OUTLIER 58.62 121.6 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.518 -0.739 . . . . 0.0 110.899 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -80.89 131.73 35.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.32 -0.863 . . . . 0.0 110.058 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -105.99 160.37 15.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.097 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -58.6 170.73 0.72 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.201 -0.937 . . . . 0.0 110.108 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.0 t -153.56 88.93 3.59 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.2 -0.937 . . . . 0.0 110.127 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -73.55 -5.27 16.82 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 O-C-N 123.973 1.512 . . . . 0.0 111.44 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 68' ' ' ILE . . . -58.89 -16.51 17.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.917 . . . . 0.0 111.116 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.432 HD13 ' CZ3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -129.69 -64.71 0.87 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.001 -1.062 . . . . 0.0 110.613 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.34 -163.74 29.81 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.64 146.39 43.48 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.97 1.511 . . . . 0.0 110.556 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.705 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 96.52 -32.9 6.06 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.523 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 39.3 m95 -60.88 143.83 54.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.424 -1.045 . . . . 0.0 111.41 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -137.42 149.57 47.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.614 -0.679 . . . . 0.0 109.801 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -130.88 150.3 52.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.207 -0.933 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 136.35 34.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.48 -0.762 . . . . 0.0 109.852 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.56 135.48 40.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.85 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 34' ' ' TYR . 21.1 t -120.58 100.78 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.441 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.07 45.97 1.23 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.223 -0.923 . . . . 0.0 110.047 179.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 50.12 171.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.504 -0.748 . . . . 0.0 111.22 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB2' " O3'" ' B' ' 105' ' ' ' DC' . 1.1 tppt? -140.26 -32.95 0.58 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 110.672 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.473 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 1.8 p 171.69 -173.56 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.12 -0.987 . . . . 0.0 111.254 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.76 -94.92 1.13 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.92 -41.5 0.21 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.691 -0.888 . . . . 0.0 108.732 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.433 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 41.1 p -76.37 -1.6 27.67 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.856 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.558 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.8 p -44.53 134.75 5.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.461 -0.775 . . . . 0.0 111.583 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.4 33.05 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.064 -1.065 . . . . 0.0 110.579 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 66.5 mtt85 -85.85 173.71 9.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.984 -1.304 . . . . 0.0 110.282 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 4.1 p -135.04 99.65 4.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.447 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.433 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 79.3 m-20 -99.96 126.37 46.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.376 -0.827 . . . . 0.0 110.137 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.421 HG23 ' CE2' ' A' ' 35' ' ' TYR . 40.2 m -99.24 125.24 44.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.501 -0.749 . . . . 0.0 110.13 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' HG23 ' A' ' 20' ' ' VAL . 57.2 m-85 -109.38 155.94 20.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.526 -0.734 . . . . 0.0 109.928 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.497 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -140.28 153.11 46.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.508 -179.647 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -121.76 143.64 49.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.446 -0.784 . . . . 0.0 109.12 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 43.4 m -52.89 175.36 0.11 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.299 -0.876 . . . . 0.0 109.931 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.705 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.7 Cg_endo -83.53 1.05 9.17 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.389 1.205 . . . . 0.0 112.408 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -164.75 23.66 0.06 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 117.839 -1.544 . . . . 0.0 113.096 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 129.84 86.09 0.43 Allowed Glycine 0 N--CA 1.495 2.624 0 C-N-CA 119.036 -1.554 . . . . 0.0 111.937 177.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.3 OUTLIER 168.96 116.52 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.743 -0.857 . . . . 0.0 109.069 178.272 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.72 138.07 37.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.344 -0.847 . . . . 0.0 110.78 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 44' ' ' ARG . 28.9 mt -138.28 152.53 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.587 -0.696 . . . . 0.0 109.187 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' N ' HG23 ' A' ' 43' ' ' ILE . 16.2 mtt180 -133.46 -1.57 3.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.621 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.438 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 1.3 m -161.18 -165.61 1.38 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.694 -1.254 . . . . 0.0 111.519 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -70.47 -49.31 49.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.717 -0.615 . . . . 0.0 110.081 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 2.3 t -53.53 -56.99 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.965 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -49.52 -40.3 37.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.348 -0.845 . . . . 0.0 109.285 179.031 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.514 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 1.8 tp -63.79 -39.32 93.96 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 90.8 m -69.4 -13.91 62.62 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.877 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 7.5 mmt180 -77.47 -59.27 2.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.185 -0.947 . . . . 0.0 109.996 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 12.6 t80 -56.89 -37.14 70.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.34 -0.85 . . . . 0.0 110.082 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' A' ' 59' ' ' LEU . 17.9 mt -75.47 -6.28 49.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.485 -0.759 . . . . 0.0 110.594 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.11 152.67 24.81 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.28 -26.88 20.33 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 O-C-N 123.77 1.405 . . . . 0.0 110.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.09 -17.81 48.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.25 -0.906 . . . . 0.0 110.247 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.54 137.82 32.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.266 -0.896 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.49 172.97 6.87 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' A' ' 53' ' ' LEU . 82.5 mt -141.34 52.66 1.55 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.486 -0.758 . . . . 0.0 110.007 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -15.62 58.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.332 -0.855 . . . . 0.0 110.697 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.7 mt -102.09 13.21 35.36 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.152 -0.968 . . . . 0.0 110.66 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.432 ' CE2' HD21 ' A' ' 49' ' ' LEU . 42.4 t80 -107.35 113.78 27.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.121 -0.987 . . . . 0.0 110.292 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 1.3 m-20 -82.21 116.23 21.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.525 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -50.04 -58.1 6.22 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.361 -0.837 . . . . 0.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -59.11 -55.22 37.84 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.207 -0.933 . . . . 0.0 110.722 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.404 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 1.6 mm100 -59.28 -56.51 21.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.206 -0.934 . . . . 0.0 110.603 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.1 40.93 6.4 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.2 pp -149.03 171.11 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.53 -0.983 . . . . 0.0 110.236 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt -104.36 82.85 1.98 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.492 -0.755 . . . . 0.0 109.776 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.5 p -43.41 -30.03 0.5 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.63 -0.669 . . . . 0.0 111.12 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.53 107.87 3.56 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.855 . . . . 0.0 110.039 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.82 -34.28 9.02 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.69 1.363 . . . . 0.0 110.439 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.26 158.63 86.18 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.34 -0.85 . . . . 0.0 110.105 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.82 128.73 13.58 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 O-C-N 123.796 1.419 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.414 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.439 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.845 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C1'-N19 110.428 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.845 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.652 0 O4'-C1'-N19 110.825 3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.85 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.883 0 O4'-C1'-N19 110.512 3.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.85 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.826 H5A3 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.819 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.442 1.707 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.858 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.833 1 O4'-C1'-N19 111.051 4.064 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.858 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.869 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.864 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.987 0 O4'-C1'-N19 110.654 3.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.864 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.798 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.465 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.823 0 O4'-C1'-N19 110.959 3.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.462 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.718 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.856 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.927 0 O4'-C1'-N19 110.522 3.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.856 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.767 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.547 ' C4 ' ' N4 ' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.839 0 O4'-C1'-N19 110.369 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.779 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.795 1 O4'-C1'-N19 111.69 4.863 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.854 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.854 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.868 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.865 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.825 0 O4'-C1'-N19 110.764 3.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.865 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.773 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.868 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.114 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.868 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.439 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C1'-N19 110.896 3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 121.151 0.5 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.64 -79.38 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.31 -0.869 . . . . 0.0 110.034 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 4' ' ' ASP . 14.9 mm-40 -115.13 -28.55 6.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.306 -0.871 . . . . 0.0 109.692 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 3' ' ' GLU . 5.8 p30 172.6 81.44 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.686 -0.633 . . . . 0.0 110.293 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.454 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 7.4 m95 -82.44 101.85 10.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.178 -0.951 . . . . 0.0 109.91 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.0 mt -99.62 160.29 14.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -0.818 . . . . 0.0 109.85 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.33 177.69 0.25 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.98 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.42 87.62 4.84 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 109.82 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -72.56 -6.87 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.921 1.485 . . . . 0.0 111.323 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' N ' ' A' ' 68' ' ' ILE . . . -56.95 -19.49 18.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.173 -0.954 . . . . 0.0 110.919 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.3 mp -129.09 -66.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.167 -0.958 . . . . 0.0 110.799 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.97 -169.59 36.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.17 109.94 3.02 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.886 1.466 . . . . 0.0 110.767 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.77 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 144.57 -39.59 1.21 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.544 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 67.7 m95 -65.18 136.62 56.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.503 -0.998 . . . . 0.0 111.066 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -122.74 146.88 47.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.57 -0.707 . . . . 0.0 109.547 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -119.24 146.35 45.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.406 -0.809 . . . . 0.0 110.349 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.454 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 1.3 ttp-105 -139.96 135.23 32.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.503 -0.748 . . . . 0.0 109.687 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.58 125.71 45.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.311 -0.868 . . . . 0.0 110.249 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 34' ' ' TYR . 18.1 t -110.06 99.57 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.423 -0.798 . . . . 0.0 110.023 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -83.63 45.38 1.05 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.277 -0.889 . . . . 0.0 110.594 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HG3' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER 50.38 172.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -138.63 -33.02 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.129 -0.982 . . . . 0.0 110.683 179.729 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.7 p 164.83 -169.85 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.392 -0.817 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -93.24 0.96 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' H ' ' P ' ' B' ' 107' ' ' ' DG' . . . -150.21 12.94 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.782 -0.834 . . . . 0.0 109.789 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.467 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . 18.0 p -139.23 11.82 2.58 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.53 -0.731 . . . . 0.0 109.594 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.51 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 3.6 t -51.34 130.07 26.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.45 -0.781 . . . . 0.0 111.284 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.43 -16.61 16.99 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.816 -1.183 . . . . 0.0 111.02 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.545 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 87.1 mtt180 -82.38 158.35 23.37 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.875 -1.368 . . . . 0.0 110.168 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 p -124.71 104.07 8.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.476 -0.765 . . . . 0.0 110.731 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -103.98 126.58 51.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.86 . . . . 0.0 109.76 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.418 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 60.4 m -98.71 121.6 40.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 110.215 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.425 ' CD1' HG21 ' A' ' 20' ' ' VAL . 65.7 m-85 -105.81 156.68 18.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.507 -0.745 . . . . 0.0 109.734 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -140.49 143.66 35.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.158 -0.964 . . . . 0.0 110.741 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 38.8 tt0 -107.22 149.09 28.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 109.171 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.527 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -51.49 -178.96 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.501 -0.749 . . . . 0.0 110.901 -179.585 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.2 Cg_endo -83.52 -9.72 10.06 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 O-C-N 123.739 1.389 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 t -166.68 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.665 -1.214 . . . . 0.0 112.497 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.52 84.56 0.1 Allowed Glycine 0 N--CA 1.497 2.741 0 C-N-CA 119.014 -1.565 . . . . 0.0 112.048 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.527 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.2 OUTLIER 172.8 121.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.523 -0.987 . . . . 0.0 109.105 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -79.79 128.11 33.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.264 -178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 mp -129.27 147.66 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' NH2' ' H42' ' B' ' 105' ' ' ' DC' . 0.0 OUTLIER -134.28 7.15 3.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.949 . . . . 0.0 110.994 -179.453 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 1.098 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -169.94 -171.99 1.27 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.018 -1.051 . . . . 0.0 110.553 -179.631 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 17.9 ttpt -73.84 -42.29 61.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.851 . . . . 0.0 108.746 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 37.9 t -59.55 -54.12 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.527 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -51.76 -38.9 57.36 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.302 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.504 ' CD1' ' CZ3' ' A' ' 15' ' ' TRP . 12.1 tp -66.31 -47.47 73.47 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -61.97 -17.48 57.14 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.795 -0.566 . . . . 0.0 110.077 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -75.81 -60.15 2.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 4.4 t80 -60.42 -19.88 57.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.055 -1.028 . . . . 0.0 110.073 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.4 mt -96.09 -15.37 22.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 110.288 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.28 155.32 23.49 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.98 -31.01 15.77 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 O-C-N 123.781 1.411 . . . . 0.0 110.119 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.48 62.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 109.865 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.92 54.45 2.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.473 -0.767 . . . . 0.0 110.093 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -51.94 171.18 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -0.851 . . . . 0.0 110.844 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.3 mt -145.2 63.75 1.28 Allowed 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.567 -0.708 . . . . 0.0 109.814 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -13.35 61.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.525 -0.735 . . . . 0.0 110.834 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.52 -28.85 13.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.184 -0.947 . . . . 0.0 110.444 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 49' ' ' LEU . 33.5 t80 -58.38 111.27 1.17 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.266 -0.896 . . . . 0.0 110.198 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.22 132.14 35.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CD2' ' OP2' ' C' ' 117' ' ' ' DC' . 46.6 t80 -68.28 -28.57 67.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.377 -0.827 . . . . 0.0 110.474 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -90.17 -31.68 16.95 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -96.01 -42.58 8.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.139 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.1 67.11 2.15 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.43 ' N ' ' HB3' ' A' ' 10' ' ' ALA . 4.4 pt -156.13 24.33 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.387 -1.067 . . . . 0.0 110.767 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' TYR . 2.7 mt 51.83 31.64 8.55 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.185 -0.947 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 t 63.65 -67.63 0.1 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.738 -0.601 . . . . 0.0 110.632 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' LEU . 2.1 t80 54.15 57.98 12.54 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.225 -0.922 . . . . 0.0 110.151 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.18 -44.97 0.71 Allowed 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.866 1.456 . . . . 0.0 110.532 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.51 133.55 20.13 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.39 -0.819 . . . . 0.0 110.105 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.42 135.52 22.44 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.58 1.305 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.2 tttt . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.253 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.453 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.712 0 O4'-C1'-N19 110.854 3.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.845 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.949 0 O4'-C1'-N19 110.466 3.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.845 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.77 0 O4'-C1'-N19 110.92 3.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.851 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.89 0 O4'-C1'-N19 110.662 3.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.851 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.701 1 O4'-C1'-N19 111.097 4.121 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.846 H5A3 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.722 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.7 1 O4'-C1'-N19 111.255 4.318 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.897 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.897 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.872 0 O4'-C1'-N19 110.749 3.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.884 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.072 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.884 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.938 1 O4'-C1'-N19 111.03 4.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.779 0 O4'-C1'-N19 110.918 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.463 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.776 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.853 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.935 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.853 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.64 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.593 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.949 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 1.098 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.526 1.829 1 O4'-C1'-N19 111.225 4.281 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.885 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.885 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.884 0 O4'-C1'-N19 110.981 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.902 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.81 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.902 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.82 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.873 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C1'-N19 110.904 3.88 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.441 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.524 1.683 0 O4'-C1'-N19 110.988 3.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.9 0 CA-C-O 121.373 0.606 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.25 27.34 5.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.289 -0.882 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 0.6 OUTLIER 54.66 22.49 4.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.34 -0.85 . . . . 0.0 110.773 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t70 62.44 96.67 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.207 -0.933 . . . . 0.0 110.697 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.425 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 26.5 m95 -81.52 164.62 21.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.273 -0.892 . . . . 0.0 110.216 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt -132.93 160.72 36.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.413 -0.804 . . . . 0.0 110.181 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -64.35 174.17 1.76 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.299 -0.876 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -150.2 87.11 5.03 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.399 -0.813 . . . . 0.0 109.852 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -72.66 -6.32 18.81 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.893 1.47 . . . . 0.0 111.456 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 68' ' ' ILE . . . -62.61 -13.25 29.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.122 -0.986 . . . . 0.0 110.977 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' CB ' ' CD1' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -131.19 -66.38 0.74 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.067 . . . . 0.0 110.731 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.5 -166.51 35.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.49 105.94 2.15 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.799 1.421 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.816 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 145.81 -36.57 1.32 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 66.0 m95 -68.9 144.19 54.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.52 -0.988 . . . . 0.0 111.084 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 6.2 mptt -133.08 149.49 52.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.586 -0.696 . . . . 0.0 109.409 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -131.97 138.65 48.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.847 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 4.9 tpt180 -137.21 140.32 41.65 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.49 144.8 28.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.5 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 34' ' ' TYR . 15.2 t -126.37 102.65 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.529 -0.732 . . . . 0.0 109.915 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -81.83 52.52 1.95 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.147 -0.971 . . . . 0.0 110.329 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.594 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.3 OUTLIER 47.43 -179.14 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.782 0.801 . . . . 0.0 111.38 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.8 tmmt? -136.96 -40.14 0.6 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.536 -0.728 . . . . 0.0 109.679 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 165.28 -178.95 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.498 -0.751 . . . . 0.0 110.647 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 111.76 -95.33 0.8 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.62 -43.6 0.4 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.692 -0.887 . . . . 0.0 108.911 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.468 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 74.4 p -77.52 -0.76 27.41 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.933 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 47.0 t -44.51 141.24 2.03 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.43 -0.794 . . . . 0.0 111.515 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.99 -15.25 59.54 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.2 mpt_? -83.32 136.83 34.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.246 -1.149 . . . . 0.0 109.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 p -99.95 103.01 14.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.351 -0.843 . . . . 0.0 110.544 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.3 m-20 -99.67 120.51 39.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.422 HG23 ' CE2' ' A' ' 35' ' ' TYR . 91.4 m -98.86 125.94 44.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.428 ' CD1' HG22 ' A' ' 20' ' ' VAL . 52.6 m-85 -107.21 157.0 18.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.567 -0.708 . . . . 0.0 109.626 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -139.16 160.43 39.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.151 -0.968 . . . . 0.0 110.622 -179.105 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -124.5 144.99 49.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.76 . . . . 0.0 109.868 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 41' ' ' ASP . 4.8 p -51.89 178.24 0.05 OUTLIER Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.586 -0.697 . . . . 0.0 110.187 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.816 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.0 Cg_endo -83.93 -0.92 9.8 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.217 1.114 . . . . 0.0 111.493 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -167.22 19.24 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.296 -1.362 . . . . 0.0 113.195 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 140.56 86.43 0.11 Allowed Glycine 0 N--CA 1.5 2.905 0 C-N-CA 118.817 -1.659 . . . . 0.0 112.115 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.589 ' N ' ' OG ' ' A' ' 37' ' ' SER . 0.2 OUTLIER 169.66 135.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.636 -0.92 . . . . 0.0 109.458 178.502 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -95.08 110.89 22.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.858 . . . . 0.0 110.556 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.3 mp -101.7 139.41 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.348 -0.845 . . . . 0.0 109.323 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -120.4 -0.72 10.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 110.697 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.529 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.5 OUTLIER -168.65 -156.92 0.18 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.11 -0.994 . . . . 0.0 110.369 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.2 ttpt -80.09 -44.07 20.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.24 -0.912 . . . . 0.0 110.195 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.555 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 25.5 t -61.3 -44.2 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.327 -0.858 . . . . 0.0 110.096 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -56.53 -45.81 80.93 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.264 -0.898 . . . . 0.0 110.277 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -75.86 -38.78 57.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.384 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.5 m -59.31 -51.11 71.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -0.782 . . . . 0.0 110.111 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.248 -0.907 . . . . 0.0 110.527 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CE1' ' CG ' ' A' ' 41' ' ' ASP . 5.7 t80 -65.07 -24.65 67.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.8 -1.187 . . . . 0.0 109.614 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.4 mt -93.69 4.03 54.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.421 -0.799 . . . . 0.0 110.253 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.22 153.96 9.66 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.15 -28.38 23.43 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.813 1.428 . . . . 0.0 109.942 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.53 15.95 27.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.476 -0.765 . . . . 0.0 109.952 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -101.55 49.3 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.314 -0.866 . . . . 0.0 110.092 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.38 168.57 0.75 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 0.0 110.272 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD13 ' CD2' ' A' ' 49' ' ' LEU . 92.3 mt -140.48 64.99 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.904 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -27.94 66.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.413 -0.805 . . . . 0.0 110.219 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.27 -31.0 43.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 10' ' ' ALA . 18.7 t80 -65.15 116.94 7.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.237 -0.914 . . . . 0.0 109.864 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.23 129.16 34.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 109.62 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.54 -61.72 2.41 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 110.329 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -57.24 13.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.234 -0.916 . . . . 0.0 110.797 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.99 -49.49 75.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 110.553 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.94 48.49 8.46 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -154.17 157.46 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.51 -0.994 . . . . 0.0 110.236 -179.651 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.27 83.18 4.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.381 -0.825 . . . . 0.0 109.608 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 47.7 m -44.41 -63.92 0.79 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.581 -0.699 . . . . 0.0 110.972 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.6 t80 51.62 70.08 2.15 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.298 -0.876 . . . . 0.0 110.401 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.64 -48.93 0.28 Allowed 'Trans proline' 0 C--N 1.309 -1.553 0 O-C-N 123.787 1.414 . . . . 0.0 110.475 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.94 134.86 55.93 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.356 -0.84 . . . . 0.0 110.115 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -74.69 -41.82 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.658 1.346 . . . . 0.0 110.347 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.212 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.435 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.854 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.842 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.854 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.688 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.853 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.995 0 O4'-C1'-N19 110.583 3.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.853 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.75 0 O4'-C1'-N19 110.984 3.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.856 H5A3 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.807 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.703 1 O4'-C1'-N19 111.219 4.274 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.861 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.864 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.861 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.836 0 O4'-C1'-N19 110.62 3.525 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.87 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.87 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.878 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.425 ' C6 ' H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.82 0 O4'-C1'-N19 110.907 3.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.438 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.724 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.852 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C1'-N19 110.433 3.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.852 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.716 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.667 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.864 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.667 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.763 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.864 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.864 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.844 0 O4'-C1'-N19 110.963 3.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.891 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.742 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.891 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.873 0 O4'-C1'-N19 110.769 3.711 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.873 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.88 0 O4'-C1'-N19 110.876 3.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.896 1 O4'-C1'-N19 111.056 4.071 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.446 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.737 0 O4'-C1'-N19 110.902 3.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttm . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.199 0.523 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . 52.38 32.97 12.0 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.292 -0.88 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.96 -80.68 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.584 -0.698 . . . . 0.0 110.314 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 2' ' ' ALA . 9.9 t70 -174.04 83.38 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.288 -0.883 . . . . 0.0 110.315 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 3.3 m95 -87.38 121.34 29.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.085 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -118.1 160.5 21.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.443 -0.786 . . . . 0.0 110.23 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -71.54 153.3 42.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.881 . . . . 0.0 110.674 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.35 80.64 67.33 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.596 -0.69 . . . . 0.0 109.303 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.99 -5.62 17.39 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 O-C-N 123.986 1.519 . . . . 0.0 112.049 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 68' ' ' ILE . . . -53.52 -47.16 70.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.961 -1.087 . . . . 0.0 110.585 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.518 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.6 mp -94.05 -66.24 0.93 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.808 . . . . 0.0 110.521 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.02 -171.5 37.77 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.9 105.63 2.11 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.947 1.499 . . . . 0.0 110.793 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.762 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.28 -28.74 0.71 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.543 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 71.4 m95 -75.31 154.93 37.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.437 -1.037 . . . . 0.0 111.936 -178.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -140.3 154.14 46.7 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.229 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 8.8 ttp180 -123.54 140.79 52.64 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 110.82 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 16.7 ttp180 -140.62 135.31 31.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.66 -0.65 . . . . 0.0 109.445 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.46 139.98 34.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 109.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' A' ' 34' ' ' TYR . 6.8 t -125.82 101.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.496 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -85.74 48.53 1.61 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.538 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.1 OUTLIER 49.64 178.33 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.45 -0.781 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' SER . 16.9 ttpt -138.78 -35.58 0.57 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 110.108 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.5 t 161.37 -171.52 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.644 -0.66 . . . . 0.0 110.116 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.502 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.3 -61.96 0.31 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -178.89 -39.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.568 -0.96 . . . . 0.0 108.565 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 22.1 p -82.72 3.31 29.7 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.171 0.51 . . . . 0.0 109.67 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.534 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.2 t -45.32 136.1 5.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.725 . . . . 0.0 111.773 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.85 -19.1 28.48 Favored Glycine 0 N--CA 1.495 2.583 0 C-N-CA 120.046 -1.074 . . . . 0.0 110.967 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.5 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 11.4 mtp180 -78.68 146.19 34.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.94 -1.33 . . . . 0.0 110.448 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.403 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 90.1 p -118.46 98.3 6.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.421 -0.799 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -105.25 135.53 46.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 110.149 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -99.47 127.51 45.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 110.026 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CD1' HG22 ' A' ' 20' ' ' VAL . 28.2 m-85 -109.79 136.39 49.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.531 -0.731 . . . . 0.0 109.489 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 30.5 m-85 -121.79 145.11 48.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.237 -0.914 . . . . 0.0 110.667 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 24.8 tt0 -99.91 141.83 32.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 108.799 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 5.1 p -55.19 -174.66 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.488 -0.757 . . . . 0.0 110.185 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.762 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.3 Cg_endo -81.36 -14.9 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.409 1.215 . . . . 0.0 110.993 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.42 44.19 0.06 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.493 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 121.62 92.66 1.21 Allowed Glycine 0 N--CA 1.497 2.753 0 C-N-CA 119.583 -1.294 . . . . 0.0 112.104 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER 154.79 131.55 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -100.26 129.36 46.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 0.0 110.786 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 48' ' ' GLU . 1.2 mp -111.61 155.48 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.505 -0.747 . . . . 0.0 109.444 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -143.21 11.36 1.74 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.373 -0.829 . . . . 0.0 110.52 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 1.017 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -172.35 -168.5 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.033 -1.042 . . . . 0.0 110.541 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -75.65 -46.84 29.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.468 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 55.5 t -56.91 -49.24 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.569 -0.707 . . . . 0.0 109.3 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HG2' ' P ' ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -51.32 -52.57 44.11 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.624 -0.672 . . . . 0.0 109.938 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.485 HD11 ' CZ3' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -59.86 -42.97 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 108.955 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -61.66 -18.04 57.91 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.706 -0.622 . . . . 0.0 110.24 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt-85 -78.02 -61.63 1.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CE1' ' CB ' ' A' ' 41' ' ' ASP . 11.4 t80 -54.26 -24.69 19.72 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.25 -0.906 . . . . 0.0 110.148 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' A' ' 59' ' ' LEU . 30.1 mt -86.46 -19.53 29.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.407 -0.808 . . . . 0.0 110.238 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.46 156.49 13.86 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.4 -19.94 32.42 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 O-C-N 123.843 1.443 . . . . 0.0 110.402 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.23 26.67 5.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 0.0 110.008 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.82 79.03 1.77 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.03 165.7 24.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.117 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' A' ' 53' ' ' LEU . 39.7 mt -138.12 59.87 1.64 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.848 . . . . 0.0 110.041 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -19.18 36.35 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.676 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.08 7.62 46.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.181 -0.949 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.405 ' CZ ' ' HA2' ' A' ' 67' ' ' GLY . 66.1 t80 -102.25 119.08 38.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.054 -1.029 . . . . 0.0 110.23 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.13 133.56 36.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.399 -0.813 . . . . 0.0 110.115 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 45' ' ' SER . 5.1 t80 -65.65 -28.94 69.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.424 -0.798 . . . . 0.0 110.293 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 -54.92 3.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 0.0 110.589 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.67 -53.35 59.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.266 -0.896 . . . . 0.0 110.462 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' HA2' ' CZ ' ' A' ' 62' ' ' PHE . . . 88.78 25.16 30.57 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.406 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.3 pp -134.45 155.1 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.367 -1.078 . . . . 0.0 110.247 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' TYR . 8.3 mt -94.64 81.98 3.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.35 79.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.537 -0.727 . . . . 0.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 57.7 t80 -100.72 142.93 25.57 Favored Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.448 -0.782 . . . . 0.0 109.99 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 71' ' ' TYR . 45.1 Cg_endo -71.59 91.01 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.613 1.323 . . . . 0.0 110.392 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.464 ' N ' ' HD2' ' A' ' 74' ' ' PRO . . . -70.6 -55.19 7.55 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 121.406 -0.809 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 47.4 Cg_endo -73.81 -49.56 0.2 Allowed 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.553 1.291 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tptt . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.21 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.456 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.638 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.866 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C1'-N19 110.593 3.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.866 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.687 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.442 " C2'" ' C6 ' ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.624 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 P--O5' 1.61 1.738 0 O4'-C1'-N19 110.998 3.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.866 H5A2 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.825 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.688 1 O4'-C1'-N19 111.169 4.211 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.888 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.012 1 O4'-C1'-N19 111.082 4.102 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.888 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.812 0 O4'-C1'-N19 110.805 3.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.871 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.943 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.871 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.78 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.454 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.683 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.442 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.754 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.802 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C1'-N19 110.482 3.352 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.802 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.659 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.633 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.78 1 O4'-C1'-N19 111.192 4.24 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 1.017 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.525 1.812 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.841 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.841 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C1'-N19 110.842 3.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.879 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.741 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.879 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.853 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.881 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.881 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.85 1 O4'-C1'-N19 111.121 4.152 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.452 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.726 0 O4'-C1'-N19 110.989 3.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.284 0.564 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.07 89.15 3.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.384 -0.823 . . . . 0.0 109.989 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 3.4 mp0 -52.39 -89.7 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.372 -0.83 . . . . 0.0 110.366 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 15.0 t0 176.91 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.251 -0.906 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.441 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 43.8 m95 -79.36 115.61 19.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 110.066 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -102.35 160.68 14.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.124 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.98 -173.95 0.42 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.334 -0.854 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.91 90.73 3.28 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.462 -0.774 . . . . 0.0 109.809 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -75.51 0.9 8.58 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.835 1.439 . . . . 0.0 111.666 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB1' ' CE2' ' A' ' 62' ' ' PHE . . . -74.78 -3.85 34.15 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.005 -1.06 . . . . 0.0 111.26 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.441 HD12 ' CE2' ' A' ' 15' ' ' TRP . 4.3 mt -137.16 -61.53 0.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 110.553 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.21 -177.1 47.84 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.84 96.45 0.85 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.919 1.484 . . . . 0.0 110.48 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.79 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 161.76 -30.51 0.31 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.591 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 63.3 m95 -75.63 151.13 37.83 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.457 -1.025 . . . . 0.0 111.87 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 2.0 mmmm -137.03 129.92 30.61 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 20.1 ttp85 -109.14 138.35 45.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.222 -0.924 . . . . 0.0 110.926 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.1 tpt180 -140.32 137.55 34.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.675 -0.641 . . . . 0.0 109.435 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.59 133.0 44.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.229 -0.919 . . . . 0.0 110.25 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 34' ' ' TYR . 15.6 t -111.35 104.71 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.562 -0.711 . . . . 0.0 109.974 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.9 t80 -84.68 45.86 1.19 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.11 -0.994 . . . . 0.0 110.516 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.58 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.2 OUTLIER 49.9 173.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.431 -0.793 . . . . 0.0 110.905 179.772 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER -142.18 -34.31 0.46 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.037 -1.04 . . . . 0.0 110.827 179.752 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.517 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 14.5 t 172.73 -169.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.234 -0.916 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.464 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 102.39 -74.11 0.32 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.05 -39.18 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.447 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 22.1 p -80.24 0.27 33.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.582 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 13.3 t -44.32 132.67 5.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.556 -0.715 . . . . 0.0 111.563 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.75 -14.82 26.82 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.924 -1.131 . . . . 0.0 110.841 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 2.8 mtt-85 -83.08 175.39 10.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.956 -1.32 . . . . 0.0 110.43 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.415 ' HB3' ' CD1' ' A' ' 21' ' ' PHE . 94.6 p -137.37 95.65 3.12 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.625 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.9 m-20 -100.99 124.8 47.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.462 -0.774 . . . . 0.0 109.94 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 m -98.37 128.81 44.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.325 -0.859 . . . . 0.0 110.237 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 44.0 m-85 -111.11 158.35 18.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.507 -0.746 . . . . 0.0 109.822 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 1.2 m-85 -140.18 140.05 35.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 110.729 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 5.3 tp60 -99.35 143.13 29.95 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.495 ' OG ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -52.1 -176.43 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.483 -0.761 . . . . 0.0 111.199 -179.12 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.79 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.5 Cg_endo -81.68 -18.79 7.81 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.578 1.304 . . . . 0.0 110.494 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -156.04 9.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 118.581 -1.248 . . . . 0.0 112.646 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.3 83.94 0.04 OUTLIER Glycine 0 N--CA 1.495 2.611 0 C-N-CA 118.697 -1.716 . . . . 0.0 112.021 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' OD2' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 174.14 116.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.482 -1.011 . . . . 0.0 109.47 177.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.75 118.78 21.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.327 -0.858 . . . . 0.0 110.918 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.453 HG13 ' HB3' ' A' ' 48' ' ' GLU . 1.3 mp -119.49 149.19 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.496 -0.753 . . . . 0.0 109.314 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' HB2' ' C5A' ' C' ' 118' ' ' 5CM . 0.7 OUTLIER -129.38 0.28 5.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 110.611 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 1.07 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -158.76 -170.5 3.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.027 -1.046 . . . . 0.0 110.74 -179.508 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' N ' ' OG ' ' A' ' 45' ' ' SER . 4.5 ttpt -77.51 -39.05 47.56 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.522 -0.736 . . . . 0.0 109.04 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.437 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 53.3 t -63.76 -48.62 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -0.774 . . . . 0.0 109.216 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.51 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -54.34 -39.98 67.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.409 -0.807 . . . . 0.0 109.132 179.168 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.481 ' CD1' ' CH2' ' A' ' 15' ' ' TRP . 15.5 tp -68.35 -44.95 74.15 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.3 m -59.88 -23.21 63.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.663 -0.648 . . . . 0.0 109.764 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.51 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -71.65 -58.59 3.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.354 -0.841 . . . . 0.0 110.527 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.495 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 2.8 t80 -57.01 -21.59 31.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 0.0 110.396 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD13 ' HG ' ' A' ' 49' ' ' LEU . 39.3 mt -92.07 -13.12 31.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.279 -0.888 . . . . 0.0 110.782 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.31 152.87 8.73 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.0 -20.3 38.59 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 O-C-N 123.707 1.372 . . . . 0.0 110.453 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.47 8.93 37.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.1 m -104.05 61.84 0.74 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.324 -0.86 . . . . 0.0 110.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 168.04 4.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.209 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.1 mt -141.79 63.49 1.42 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.469 -0.769 . . . . 0.0 110.036 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -18.18 63.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 0.0 110.403 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.87 -27.04 21.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.225 -0.922 . . . . 0.0 110.361 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.454 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 20.0 t80 -67.34 122.01 16.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -85.68 137.83 32.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.368 -0.832 . . . . 0.0 109.84 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -76.76 -67.02 0.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.303 -0.873 . . . . 0.0 110.433 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -58.51 -21.96 53.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.322 -0.861 . . . . 0.0 110.75 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -100.61 -51.59 3.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.124 -0.985 . . . . 0.0 110.432 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.78 62.9 2.07 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.2 pt -160.32 144.71 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.329 -1.101 . . . . 0.0 110.242 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 10.8 mt -98.45 87.92 3.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.44 -0.788 . . . . 0.0 109.784 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -45.94 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.498 -0.751 . . . . 0.0 110.561 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.6 t80 56.7 106.52 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.354 -0.842 . . . . 0.0 110.648 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.72 121.48 7.96 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.505 1.266 . . . . 0.0 110.298 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.473 ' N ' ' HD2' ' A' ' 74' ' ' PRO . . . -69.5 -54.99 10.06 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.405 -0.809 . . . . 0.0 110.586 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 73' ' ' ALA . 46.4 Cg_endo -72.99 75.52 2.72 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.465 1.245 . . . . 0.0 110.593 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.515 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.443 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C1'-N19 110.723 3.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.64 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.443 1.78 0 O4'-C1'-N19 110.382 3.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.64 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.815 0 O4'-C1'-N19 110.894 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.495 " C2'" ' C6 ' ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.893 0 O4'-C1'-N19 110.623 3.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.603 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C1'-N19 111.186 4.233 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.767 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.757 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.875 1 O4'-C1'-N19 111.229 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.867 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.865 1 O4'-C1'-N19 111.096 4.12 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.867 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.821 0 O4'-C1'-N19 110.65 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.856 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.063 0 O4'-C1'-N19 110.787 3.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.856 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.777 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.461 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C1'-N19 110.882 3.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.454 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.739 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.454 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.795 0 O4'-C1'-N19 110.527 3.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.456 ' C2 ' ' C2 ' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.13 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.595 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.054 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 1.07 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.526 1.935 1 O4'-C1'-N19 111.133 4.166 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.865 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.865 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.851 1 O4'-C1'-N19 111.014 4.018 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.889 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.687 0 O4'-C1'-N19 110.83 3.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.889 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.822 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.762 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.762 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.853 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.437 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.665 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.216 0.531 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.407 ' HB1' " C5'" ' B' ' 104' ' ' ' DT' . . . -114.49 -78.49 0.58 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.304 -0.873 . . . . 0.0 110.229 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -151.59 27.26 0.65 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.404 -0.81 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 t0 60.2 112.21 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.478 -0.764 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.421 ' CZ2' ' HD3' ' A' ' 18' ' ' ARG . 61.3 m95 -79.75 136.26 36.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.362 -0.836 . . . . 0.0 110.047 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -116.63 160.27 20.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.357 -0.839 . . . . 0.0 110.107 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.23 167.2 0.69 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 110.166 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -147.97 85.85 6.34 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 110.417 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -73.13 -6.99 19.91 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.84 1.442 . . . . 0.0 111.124 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -61.87 -12.66 18.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.295 -0.878 . . . . 0.0 110.97 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' CB ' ' CD1' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -128.42 -68.38 0.76 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 110.457 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.1 -169.72 39.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.8 95.34 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.856 1.451 . . . . 0.0 110.94 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.758 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.19 -29.82 0.72 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 77.8 m95 -73.4 154.26 40.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.629 -0.924 . . . . 0.0 111.773 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -137.25 160.01 40.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 56.3 ttp180 -129.2 141.39 51.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.149 -0.969 . . . . 0.0 110.934 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HD3' ' CZ2' ' A' ' 5' ' ' TRP . 2.4 ttp-105 -138.34 134.44 34.23 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.48 135.99 40.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 0.0 110.522 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 HG21 ' CD1' ' A' ' 34' ' ' TYR . 25.4 t -122.08 95.72 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.512 -0.743 . . . . 0.0 109.788 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' A' ' 22' ' ' ARG . 4.3 t80 -83.92 44.62 1.01 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.13 -0.981 . . . . 0.0 110.78 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.557 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER 50.92 162.82 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.471 -0.768 . . . . 0.0 111.386 179.544 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -129.85 -31.54 1.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.142 -0.974 . . . . 0.0 110.642 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 164.99 -167.92 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.358 -0.839 . . . . 0.0 110.906 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.79 -68.34 0.33 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -174.32 -40.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.636 -0.92 . . . . 0.0 108.631 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.437 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 25.2 p -78.42 1.09 23.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.211 0.529 . . . . 0.0 109.769 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.557 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -41.83 135.13 2.4 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.641 -0.662 . . . . 0.0 112.023 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.12 -16.35 35.81 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.907 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 61.4 mtt180 -82.21 153.93 25.69 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.954 -1.321 . . . . 0.0 110.184 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 80.2 p -121.57 101.18 7.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.429 -0.795 . . . . 0.0 110.516 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.06 125.08 47.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.443 -0.785 . . . . 0.0 109.938 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.461 ' CG2' ' CE2' ' A' ' 35' ' ' TYR . 88.7 m -99.41 120.79 40.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.253 -0.904 . . . . 0.0 109.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 44' ' ' ARG . 65.9 m-85 -104.87 142.88 33.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.996 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 1.5 m-85 -126.72 146.9 50.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.312 -0.867 . . . . 0.0 110.291 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -102.5 146.61 27.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 0.0 108.965 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.512 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 3.4 p -56.54 -173.15 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.462 -0.774 . . . . 0.0 110.048 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.758 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.0 Cg_endo -82.19 -10.37 11.3 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.272 1.143 . . . . 0.0 111.268 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 t -168.06 20.18 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 0.0 112.959 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.78 86.61 0.08 OUTLIER Glycine 0 N--CA 1.497 2.719 0 C-N-CA 118.821 -1.657 . . . . 0.0 112.153 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.512 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.0 OUTLIER 163.54 113.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.779 -0.836 . . . . 0.0 109.044 178.197 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 145.81 30.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.371 -0.831 . . . . 0.0 110.951 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 44' ' ' ARG . 3.0 mt -140.56 153.47 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.597 -0.69 . . . . 0.0 109.508 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.536 ' HG3' ' C5A' ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -131.34 0.47 4.09 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.156 -0.965 . . . . 0.0 111.512 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.445 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 49.4 m -158.98 -167.41 2.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.765 -1.209 . . . . 0.0 110.985 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -75.2 -51.37 13.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.481 -0.762 . . . . 0.0 110.096 -179.498 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.591 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.3 t -52.09 -48.23 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.305 -0.872 . . . . 0.0 109.242 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HG3' ' HD3' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -51.09 -43.68 61.11 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.654 0.74 . . . . 0.0 109.222 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD13 HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -64.73 -40.21 94.95 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -67.06 -16.22 64.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.677 -0.639 . . . . 0.0 110.308 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.5 mtp180 -80.02 -62.54 1.65 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.22 -0.925 . . . . 0.0 110.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.462 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 2.9 t80 -58.03 -21.81 46.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.39 -0.819 . . . . 0.0 110.223 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.8 mt -92.56 -17.92 23.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.275 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.3 153.33 13.81 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 -29.15 17.17 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.807 1.425 . . . . 0.0 110.205 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.48 -18.3 52.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.112 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.4 m -91.39 86.81 6.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.86 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.24 174.02 10.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.228 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.9 mt -139.89 52.68 1.69 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.4 -0.812 . . . . 0.0 109.779 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -23.35 27.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.812 . . . . 0.0 110.585 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt -85.64 -37.35 19.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.272 -0.892 . . . . 0.0 110.355 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 64' ' ' PHE . 71.2 t80 -55.33 127.31 28.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.27 -0.894 . . . . 0.0 109.757 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -102.87 9.58 38.81 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.253 -0.905 . . . . 0.0 111.757 -179.046 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 24.1 t80 54.51 -85.86 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.155 -0.966 . . . . 0.0 110.853 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -48.59 -31.11 6.12 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.208 -0.933 . . . . 0.0 110.979 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.421 ' HB3' ' CG1' ' A' ' 68' ' ' ILE . 45.9 mt-30 -84.87 -28.93 25.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 0.0 109.991 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.45 39.48 97.75 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.421 ' CG1' ' HB3' ' A' ' 66' ' ' GLN . 0.8 OUTLIER -155.16 160.6 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.591 -0.946 . . . . 0.0 110.149 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 10' ' ' ALA . 5.6 mt -94.79 74.61 3.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.526 -0.734 . . . . 0.0 110.136 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.0 t -79.74 -134.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.414 -0.804 . . . . 0.0 109.954 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.46 76.29 7.65 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.059 -1.026 . . . . 0.0 110.137 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.11 88.37 0.96 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.707 1.372 . . . . 0.0 110.26 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -164.92 109.42 0.82 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.41 -0.806 . . . . 0.0 110.112 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.42 -45.76 0.56 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.673 1.354 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.213 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.462 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.747 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.848 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.113 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.848 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.712 0 O4'-C1'-N19 110.904 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.857 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.843 0 O4'-C1'-N19 110.528 3.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.857 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.837 1 O4'-C1'-N19 111.045 4.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.858 H5A3 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.802 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.718 1 O4'-C1'-N19 111.24 4.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.88 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.852 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.88 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.853 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.894 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.013 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.894 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C1'-N19 110.979 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.751 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.488 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.736 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.869 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.444 1.855 0 O4'-C1'-N19 110.874 3.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.89 0 O4'-C1'-N19 110.955 3.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.664 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.801 0 O4'-C1'-N19 110.616 3.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.831 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.743 1 O4'-C1'-N19 111.092 4.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.831 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.78 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.849 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.896 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.755 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.896 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.812 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.875 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.898 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.828 1 O4'-C1'-N19 111.061 4.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.434 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.803 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.229 0.538 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.71 23.62 3.8 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.288 -0.882 . . . . 0.0 110.363 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.458 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 11.0 mm-40 53.52 16.99 1.03 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.331 -0.856 . . . . 0.0 111.019 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 4.6 t70 53.95 95.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.081 -1.012 . . . . 0.0 110.777 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -79.14 155.98 28.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.278 -0.889 . . . . 0.0 110.167 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.09 160.49 27.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.815 . . . . 0.0 110.239 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.78 176.74 0.49 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.307 -0.871 . . . . 0.0 110.232 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.8 t -155.97 93.36 2.54 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -77.92 6.72 4.38 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.84 1.442 . . . . 0.0 111.675 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 69' ' ' LEU . . . -67.66 -9.52 44.06 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.012 -1.055 . . . . 0.0 111.107 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 1.2 mt -135.79 -61.89 0.7 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.951 -1.093 . . . . 0.0 110.469 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.08 -165.2 31.52 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.32 128.42 12.84 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.857 1.451 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.711 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 117.28 -39.47 2.64 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.478 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 61.8 m95 -57.41 140.22 50.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.47 -1.018 . . . . 0.0 111.227 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.57 152.38 51.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -140.14 140.11 35.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.157 -0.964 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' HD3' ' O ' ' A' ' 4' ' ' ASP . 10.4 tpt180 -140.49 146.34 38.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.581 -0.699 . . . . 0.0 109.469 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.68 127.74 45.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.274 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG23 ' CD1' ' A' ' 34' ' ' TYR . 12.2 t -105.47 104.55 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 109.822 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.47 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -83.26 45.75 1.06 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 110.558 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.576 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 50.63 171.03 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.332 -0.855 . . . . 0.0 111.143 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.4 OUTLIER -135.01 -36.36 0.82 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 110.562 179.639 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.473 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 13.0 t 172.76 -171.42 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.295 -0.878 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.469 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 103.25 -94.57 1.13 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.16 -44.62 0.2 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.44 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 41.2 p -72.32 -5.14 34.11 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.837 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.576 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.7 p -41.88 137.65 1.71 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.582 -0.699 . . . . 0.0 111.696 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.26 -15.59 39.13 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.684 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 69.1 mtt180 -83.48 165.99 18.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.021 -1.282 . . . . 0.0 110.367 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 7.4 p -129.79 96.23 4.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -99.77 126.09 45.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.813 . . . . 0.0 110.024 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -98.31 124.55 43.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 0.0 109.858 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 49.6 m-85 -108.72 152.75 24.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.541 -0.724 . . . . 0.0 109.886 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -139.95 144.04 36.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.955 . . . . 0.0 110.4 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 37' ' ' SER . 1.8 tt0 -108.1 150.05 27.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.775 . . . . 0.0 109.515 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 41' ' ' ASP . 20.0 p -54.47 -177.8 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.513 -0.742 . . . . 0.0 110.225 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.711 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 52.0 Cg_endo -84.58 -2.79 9.91 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.453 1.238 . . . . 0.0 112.194 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -166.76 19.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.092 -1.443 . . . . 0.0 113.274 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 139.53 82.16 0.08 OUTLIER Glycine 0 N--CA 1.497 2.715 0 C-N-CA 118.792 -1.671 . . . . 0.0 112.124 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.454 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 170.11 108.62 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.596 -0.943 . . . . 0.0 109.061 178.086 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 128.9 33.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 110.858 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 48' ' ' GLU . 17.4 mt -128.97 150.47 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.607 -0.683 . . . . 0.0 109.381 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.427 ' NH1' ' N7 ' ' C' ' 119' ' ' ' DG' . 36.7 mtt85 -126.94 -6.9 6.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.235 -0.916 . . . . 0.0 111.177 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.469 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 2.5 m -151.22 -164.37 1.99 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.962 -1.086 . . . . 0.0 110.237 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -80.08 -46.72 16.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.145 -0.972 . . . . 0.0 110.142 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.609 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 11.2 t -54.28 -48.53 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 108.703 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.506 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 3.4 mm-40 -53.28 -36.36 61.08 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.447 HD12 HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -68.31 -51.13 48.16 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.133 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.0 m -56.64 -21.21 25.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.907 -0.496 . . . . 0.0 110.198 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.506 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.2 mmm180 -74.1 -58.55 3.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.219 -0.925 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.448 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 3.7 t80 -68.09 -10.81 56.83 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.227 -0.92 . . . . 0.0 110.532 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD11 HD13 ' A' ' 59' ' ' LEU . 41.5 mt -103.15 -21.12 13.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.155 -0.966 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.8 151.05 8.39 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -21.34 35.33 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 O-C-N 123.711 1.374 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.32 -9.27 33.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 0.0 110.26 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.3 t -84.42 64.36 8.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.205 -0.935 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.16 154.63 15.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.263 -0.898 . . . . 0.0 110.213 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.417 HD13 HD11 ' A' ' 53' ' ' LEU . 74.2 mt -140.15 57.27 1.6 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.359 -0.838 . . . . 0.0 110.067 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -15.79 62.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 0.0 110.23 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 71' ' ' TYR . 2.6 mt -88.43 -26.68 22.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.305 -0.872 . . . . 0.0 110.161 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CE2' ' HB1' ' A' ' 10' ' ' ALA . 31.1 t80 -64.94 115.43 5.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.251 -0.905 . . . . 0.0 109.714 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -79.91 120.92 24.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.207 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' A' ' 35' ' ' TYR . 16.4 t80 -62.97 -23.02 67.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -90.67 -31.02 16.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.167 -0.958 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -109.21 -47.55 3.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.094 -1.004 . . . . 0.0 110.13 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 70.73 71.92 0.96 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.404 ' N ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -151.67 12.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.317 -1.108 . . . . 0.0 111.486 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 6.8 mt 48.45 55.52 8.82 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.025 -1.047 . . . . 0.0 110.171 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.3 t -42.8 -44.66 4.53 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.665 -0.647 . . . . 0.0 111.245 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.416 ' HA ' ' CD2' ' A' ' 61' ' ' LEU . 0.5 OUTLIER 51.84 74.69 0.75 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.291 -0.88 . . . . 0.0 110.595 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.69 -179.93 4.63 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.819 1.431 . . . . 0.0 110.363 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.37 95.27 47.16 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.308 -0.87 . . . . 0.0 110.225 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.66 69.28 3.59 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.643 1.338 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tttp . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.184 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.54 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.853 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.828 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C1'-N19 110.431 3.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.828 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.611 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.857 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.874 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.857 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.703 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' 5CM . . . . . 0.824 H5A3 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.74 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.777 1 O4'-C1'-N19 111.256 4.321 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' DG' . . . . . 0.846 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.894 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.846 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.904 0 O4'-C1'-N19 110.772 3.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.842 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.931 0 O4'-C1'-N19 110.705 3.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.842 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.757 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ' DC' . . . . . 0.438 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.782 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.449 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' ' DT' . . . . . 0.833 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C1'-N19 110.385 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.833 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.73 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' ' DT' . . . . . 0.728 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.762 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.728 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.706 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' 5CM . . . . . 0.826 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' ' DG' . . . . . 0.826 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.893 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.752 0 O4'-C1'-N19 110.987 3.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' ' DA' . . . . . 0.893 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C1'-N19 110.896 3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.865 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.913 0 O4'-C1'-N19 110.802 3.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.865 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.772 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.706 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.439 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 19.0 m95 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.197 0.522 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -111.42 154.2 25.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.014 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -58.07 170.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.273 -0.892 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.4 t -150.15 87.75 4.91 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.65 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -71.14 -5.26 16.6 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.983 1.517 . . . . 0.0 111.579 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.857 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -58.82 -14.78 9.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 110.898 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 49' ' ' LEU . 3.3 mp -127.32 -68.95 0.77 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.021 -1.05 . . . . 0.0 110.398 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.96 -166.22 32.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.78 138.69 26.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.803 1.423 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.748 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 109.25 -35.09 5.13 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.809 ' CE2' HD22 ' A' ' 11' ' ' LEU . 36.9 m95 -62.4 145.92 52.72 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.349 -1.089 . . . . 0.0 111.418 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -139.53 132.53 29.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.667 -0.645 . . . . 0.0 109.598 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -115.21 152.94 31.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.263 -0.898 . . . . 0.0 110.522 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 33' ' ' THR . 11.7 ttp180 -140.03 160.15 40.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.854 . . . . 0.0 110.229 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.96 143.14 45.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 109.922 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 34' ' ' TYR . 25.3 t -132.34 101.55 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.208 -0.932 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' ARG . 3.2 t80 -84.7 50.04 1.83 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.259 -0.901 . . . . 0.0 110.217 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.579 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 48.59 -179.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.707 0.765 . . . . 0.0 111.07 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.4 tmmt? -139.17 -38.4 0.49 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.528 -0.732 . . . . 0.0 109.923 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.471 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 0.6 OUTLIER 167.7 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.441 -0.787 . . . . 0.0 110.764 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.57 -91.1 1.01 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.81 -41.92 0.17 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.948 0.88 . . . . 0.0 109.057 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.434 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 42.4 p -77.8 -0.16 26.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.865 -0.522 . . . . 0.0 110.036 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 38.0 t -45.06 138.78 3.55 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 111.731 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 -14.08 49.94 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.497 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.473 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 97.8 mtt180 -87.41 150.0 24.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.047 -1.267 . . . . 0.0 110.207 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 53.6 p -110.97 118.06 35.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 110.485 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -116.16 127.92 55.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.436 -0.79 . . . . 0.0 110.055 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 18' ' ' ARG . 11.3 m -99.77 124.3 44.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 110.409 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CD1' HG21 ' A' ' 20' ' ' VAL . 86.3 m-85 -113.49 142.64 45.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.443 -0.786 . . . . 0.0 109.402 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -139.74 139.85 36.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.056 -1.028 . . . . 0.0 110.63 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 45.3 tt0 -99.62 152.43 20.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.425 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.487 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -54.15 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.586 -0.696 . . . . 0.0 110.493 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.748 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.3 Cg_endo -86.05 -9.22 7.51 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.481 1.253 . . . . 0.0 111.225 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -161.09 14.9 0.1 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.808 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.49 80.98 0.04 OUTLIER Glycine 0 N--CA 1.495 2.591 0 C-N-CA 118.723 -1.703 . . . . 0.0 112.227 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.74 128.79 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.486 -1.008 . . . . 0.0 109.628 177.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.556 ' C ' HD12 ' A' ' 43' ' ' ILE . 6.9 tpt180 -97.85 105.37 17.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.219 -0.925 . . . . 0.0 110.568 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.918 HG21 HD12 ' A' ' 49' ' ' LEU . 1.3 mp -106.21 135.55 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.331 -0.856 . . . . 0.0 109.322 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.46 -3.34 15.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.867 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -154.97 -165.19 1.97 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -179.463 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' N ' ' OG ' ' A' ' 45' ' ' SER . 8.4 ttpt -78.95 -42.8 26.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.514 -0.741 . . . . 0.0 109.086 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 25.1 t -56.58 -54.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 0.0 108.729 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.69 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.57 -39.02 48.37 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.616 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -67.98 -42.71 80.4 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.8 m -65.79 -15.77 63.18 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.745 -0.597 . . . . 0.0 109.882 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.534 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 15.1 mmt180 -77.77 -62.37 1.69 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.867 . . . . 0.0 110.185 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.455 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -58.44 -21.93 52.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 110.251 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 59' ' ' LEU . 43.1 mt -94.56 -15.84 23.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.49 153.35 18.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.32 -29.7 20.8 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 123.7 1.369 . . . . 0.0 110.199 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.23 -21.61 58.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.416 -0.803 . . . . 0.0 109.98 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.57 66.33 7.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -59.49 166.25 2.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.937 HD13 HD23 ' A' ' 49' ' ' LEU . 88.6 mt -139.48 64.6 1.46 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.37 -0.831 . . . . 0.0 110.046 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 -20.99 60.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.321 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.493 ' O ' HD23 ' A' ' 69' ' ' LEU . 16.0 mt -95.1 13.5 25.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.253 -0.904 . . . . 0.0 110.671 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.632 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 43.2 t80 -98.45 130.1 45.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 110.054 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.19 120.33 29.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.47 -0.769 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.75 -26.27 61.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.004 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.13 -12.07 39.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.0 110.926 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -123.07 -40.51 2.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.119 -0.988 . . . . 0.0 110.632 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 82.5 56.59 2.78 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.857 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 2.8 pt -154.62 150.55 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.424 -1.045 . . . . 0.0 110.496 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 61' ' ' LEU . 10.4 mt . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.504 -0.748 . . . . 0.0 109.589 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 34.8 m95 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.185 0.517 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -107.69 160.53 15.64 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.471 -0.768 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.92 158.66 32.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 46.1 t -136.84 82.97 30.3 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.85 -5.36 16.72 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 O-C-N 124.115 1.587 . . . . 0.0 112.513 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.962 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -55.38 -53.66 53.46 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.778 -1.201 . . . . 0.0 110.184 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.044 HD11 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -81.9 -67.96 0.74 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.359 -0.838 . . . . 0.0 110.772 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.52 -159.81 23.16 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.253 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' O ' ' HB3' ' A' ' 38' ' ' PRO . 47.9 Cg_endo -73.66 136.99 24.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.973 1.512 . . . . 0.0 111.112 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.746 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 105.29 -34.58 5.68 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.96 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 41.8 m95 -60.16 143.12 53.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.542 -0.975 . . . . 0.0 111.05 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.03 148.2 41.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.464 -0.773 . . . . 0.0 109.66 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.93 147.5 52.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.902 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -135.08 147.23 49.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.478 -0.764 . . . . 0.0 109.624 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.9 146.14 27.73 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.918 . . . . 0.0 110.37 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG21 ' CD1' ' A' ' 34' ' ' TYR . 22.0 t -132.31 96.15 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.817 . . . . 0.0 110.017 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 -83.05 45.32 1.0 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.367 -0.833 . . . . 0.0 110.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.75 168.31 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 111.083 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' SER . 3.1 tppt? -134.79 -30.81 1.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.0 110.338 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 164.28 -165.86 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.413 -0.804 . . . . 0.0 110.788 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.46 -66.51 0.46 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -176.38 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.631 -0.923 . . . . 0.0 108.554 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.452 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 18.1 p -78.45 -1.48 33.83 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.5 t -39.64 131.32 1.78 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.659 -0.65 . . . . 0.0 111.793 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.68 -15.97 23.97 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 120.123 -1.037 . . . . 0.0 110.681 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 31.6 mtt180 -83.76 151.74 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.998 -1.295 . . . . 0.0 110.566 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 49.2 p -119.38 106.31 12.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.34 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 45.7 m-20 -109.31 127.65 54.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.473 -0.767 . . . . 0.0 110.193 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.436 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 6.6 m -99.23 121.93 41.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.434 -0.791 . . . . 0.0 110.034 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.543 ' CD1' HG21 ' A' ' 20' ' ' VAL . 45.6 m-85 -106.42 144.97 32.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -135.56 160.07 39.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.153 -0.967 . . . . 0.0 110.473 -179.585 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -125.87 148.94 49.03 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.521 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -53.47 -175.58 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.63 -0.669 . . . . 0.0 109.309 179.399 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.746 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 43.2 Cg_endo -75.6 -13.22 20.27 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 N-CA-C 109.538 -0.985 . . . . 0.0 109.538 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 38' ' ' PRO . 13.2 t -179.2 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.01 -115.6 2.42 Favored Glycine 0 N--CA 1.489 2.194 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.047 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -116.69 -153.32 0.52 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.592 -0.946 . . . . 0.0 110.464 -178.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.03 116.17 31.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 110.906 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.878 HG21 HD12 ' A' ' 49' ' ' LEU . 23.2 mt -99.54 155.16 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.21 -10.46 7.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.106 -0.996 . . . . 0.0 111.562 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -152.63 -166.08 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.781 -1.2 . . . . 0.0 111.021 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -77.21 -47.53 19.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.2 t -54.29 -52.7 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 108.779 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.859 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.0 mt-10 -53.18 -32.94 50.46 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.044 HD21 HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.18 -48.68 41.42 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.171 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.1 m -59.03 -21.12 58.58 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.763 -0.586 . . . . 0.0 109.697 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -73.48 -59.53 2.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.41 -0.806 . . . . 0.0 110.023 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 6.8 t80 -59.73 -24.57 64.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.339 -0.851 . . . . 0.0 110.17 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.643 ' CD1' HD11 ' A' ' 59' ' ' LEU . 68.5 mt -86.36 -21.45 27.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.04 156.69 14.37 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -16.47 33.34 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.826 1.435 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.01 14.76 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.47 63.72 0.96 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -51.32 174.3 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.462 -0.774 . . . . 0.0 110.747 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.676 ' CD1' HD23 ' A' ' 49' ' ' LEU . 32.7 mt -151.78 62.77 0.86 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.562 -0.711 . . . . 0.0 109.674 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -76.97 -0.08 23.05 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.357 -0.839 . . . . 0.0 111.203 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.88 -26.16 11.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.013 -1.054 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.463 ' CE2' ' HA ' ' A' ' 64' ' ' PHE . 39.1 t80 -59.77 123.06 15.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.174 -0.954 . . . . 0.0 109.488 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' LYS . 7.3 m-20 -85.15 7.99 19.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.359 -0.838 . . . . 0.0 111.7 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.463 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 64.3 t80 57.43 -76.91 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.289 -0.882 . . . . 0.0 110.743 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -57.23 -53.8 54.0 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.125 -0.984 . . . . 0.0 110.834 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.501 ' HB3' HD11 ' A' ' 68' ' ' ILE . 72.2 mm-40 -63.55 -32.9 74.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 110.522 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 69.67 45.48 58.62 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.828 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -153.14 157.43 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.386 -1.067 . . . . 0.0 110.445 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.962 HD12 ' O ' ' A' ' 10' ' ' ALA . 9.1 mt . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.481 -0.762 . . . . 0.0 109.59 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.461 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 27.1 m95 . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 121.093 0.473 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -137.55 160.1 40.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 110.215 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 165.01 7.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.291 -0.881 . . . . 0.0 109.925 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 47.5 t -148.2 84.8 6.61 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 110.436 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.518 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.4 Cg_endo -73.99 -7.03 19.43 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 O-C-N 123.791 1.417 . . . . 0.0 111.08 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.777 ' HB1' ' HD1' ' A' ' 62' ' ' PHE . . . -55.86 -19.63 12.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.231 -0.918 . . . . 0.0 111.21 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.922 HD23 HD11 ' A' ' 53' ' ' LEU . 2.9 mp -126.53 -66.84 0.89 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.944 -1.097 . . . . 0.0 110.684 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.99 -165.44 29.96 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.57 133.75 19.35 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.849 1.447 . . . . 0.0 110.703 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.738 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 111.88 -32.66 6.22 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.712 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 85.7 m95 -62.89 147.02 51.48 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.406 -1.055 . . . . 0.0 111.435 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 5.4 mmtt -137.87 154.08 49.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.683 -0.636 . . . . 0.0 109.407 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.15 137.85 49.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.992 . . . . 0.0 110.752 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 4.7 tpm_? -140.12 133.53 29.98 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.61 -0.681 . . . . 0.0 109.478 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -99.59 137.08 38.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 0.0 110.248 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 31' ' ' SER . 9.8 t -116.04 104.98 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.523 -0.736 . . . . 0.0 109.93 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -86.09 37.9 0.74 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.091 -1.005 . . . . 0.0 110.512 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HG3' ' HB2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER 51.54 162.34 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.732 0.777 . . . . 0.0 111.399 179.537 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -128.27 -34.63 2.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 110.378 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 p 166.39 -170.29 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.368 -0.832 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 26' ' ' ALA . . . 106.15 -58.03 0.45 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' GLY . . . 177.94 -38.76 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.581 -0.952 . . . . 0.0 108.456 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.512 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 33.4 p -85.42 9.02 16.83 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.578 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.1 t -49.2 132.84 19.58 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.423 -0.798 . . . . 0.0 111.452 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.75 -7.16 55.26 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.665 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.637 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.8 mpt_? -91.45 128.66 37.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.283 . . . . 0.0 109.539 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 9.0 p -99.64 124.07 44.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.006 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.2 m-20 -124.01 129.72 51.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.539 -0.725 . . . . 0.0 109.66 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.642 HG22 ' CE2' ' A' ' 35' ' ' TYR . 31.2 m -98.48 118.61 35.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.243 -0.91 . . . . 0.0 110.238 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 55.2 m-85 -101.85 153.23 20.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.624 -0.673 . . . . 0.0 110.02 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -139.7 144.02 37.34 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.242 -0.911 . . . . 0.0 110.25 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -109.33 142.19 40.58 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . 9.5 p -54.99 -175.47 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.801 . . . . 0.0 110.092 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.738 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 45.9 Cg_endo -83.63 -7.79 10.52 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.386 1.203 . . . . 0.0 111.705 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -168.2 47.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 118.05 -1.46 . . . . 0.0 112.796 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 113.64 89.52 1.75 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 119.537 -1.316 . . . . 0.0 111.944 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.4 OUTLIER 165.09 108.73 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.83 -0.806 . . . . 0.0 109.123 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 116.0 19.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.298 -0.876 . . . . 0.0 110.888 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.815 HG23 ' HB3' ' A' ' 48' ' ' GLU . 28.0 mt -112.94 148.98 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.489 -0.757 . . . . 0.0 109.128 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -135.85 4.22 3.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.216 -0.927 . . . . 0.0 111.583 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.34 -162.7 0.76 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.829 -1.17 . . . . 0.0 111.054 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -74.65 -47.96 28.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.455 -0.778 . . . . 0.0 109.669 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 51' ' ' ARG . 15.3 t -54.56 -54.25 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.471 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.815 ' HB3' HG23 ' A' ' 43' ' ' ILE . 6.9 mm-40 -51.68 -42.47 62.19 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.384 -0.823 . . . . 0.0 109.233 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.859 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.6 tp -66.23 -46.32 77.61 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -61.12 -16.72 47.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.821 -0.549 . . . . 0.0 110.215 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.508 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mmt180 -78.53 -62.12 1.79 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.919 . . . . 0.0 110.486 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.4 t80 -53.14 -28.36 25.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.178 -0.951 . . . . 0.0 110.093 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.922 HD11 HD23 ' A' ' 11' ' ' LEU . 3.2 mt -92.05 -22.82 19.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.49 155.37 16.02 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.41 -27.21 19.52 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 O-C-N 123.897 1.472 . . . . 0.0 110.378 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.0 -21.01 55.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.152 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.91 74.38 4.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.189 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -59.65 160.19 7.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.328 -0.858 . . . . 0.0 110.183 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.887 HD11 HD13 ' A' ' 53' ' ' LEU . 65.3 mt -132.48 43.6 2.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -25.78 34.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.37 -0.831 . . . . 0.0 110.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.25 -24.47 37.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.414 -0.804 . . . . 0.0 110.212 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.777 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 67.8 t80 -68.21 118.36 11.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.027 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 1.9 m-20 -85.39 111.56 20.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 109.892 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -50.0 -43.36 50.54 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.354 -0.841 . . . . 0.0 110.889 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -55.1 6.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.102 -0.999 . . . . 0.0 111.052 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 14.6 mt-30 -64.76 -50.95 64.84 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.963 . . . . 0.0 110.622 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.641 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 85.2 52.28 3.47 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.946 -1.662 . . . . 0.0 108.946 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.601 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -156.8 155.28 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.563 -0.963 . . . . 0.0 110.093 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 69' ' ' LEU . 7.0 mt . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.783 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.598 ' O ' HD23 ' A' ' 6' ' ' LEU . 82.9 m95 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.271 0.557 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 5' ' ' TRP . 57.9 mt -135.25 160.6 37.87 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.105 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.77 152.97 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.292 -0.88 . . . . 0.0 110.427 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.476 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.4 t -142.73 84.69 10.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.829 . . . . 0.0 109.607 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.1 Cg_endo -72.0 -8.16 22.4 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 124.012 1.533 . . . . 0.0 111.881 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.919 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -54.21 -60.62 3.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.023 -1.048 . . . . 0.0 110.652 -179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.795 HD21 ' HG ' ' A' ' 49' ' ' LEU . 1.7 mp -79.74 -59.93 2.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.43 -0.794 . . . . 0.0 110.691 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.16 -161.14 32.07 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.27 147.92 38.09 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.847 1.446 . . . . 0.0 110.875 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.779 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 98.67 -32.07 7.43 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.775 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 63.7 m95 -65.32 146.31 55.09 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.412 -1.052 . . . . 0.0 111.447 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -140.24 149.94 43.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.649 -0.657 . . . . 0.0 109.596 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -126.36 122.89 36.69 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.171 -0.956 . . . . 0.0 110.682 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.74 138.33 50.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.385 -0.822 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.15 147.8 25.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.887 . . . . 0.0 110.269 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 34' ' ' TYR . 41.3 t -126.62 157.83 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.404 -0.81 . . . . 0.0 109.833 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -135.38 40.17 2.84 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.198 -0.938 . . . . 0.0 110.106 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.613 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.22 175.08 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.598 0.714 . . . . 0.0 111.315 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -140.48 -41.36 0.41 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.418 -0.801 . . . . 0.0 110.343 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.547 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 45.5 t 174.48 -166.96 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.378 -0.826 . . . . 0.0 110.962 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.6 -74.04 0.41 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.35 -43.88 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.501 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 40.0 p -76.35 -1.96 29.39 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.215 0.531 . . . . 0.0 109.742 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 19.3 t -41.3 137.0 1.52 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 111.88 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.43 -9.74 60.97 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.346 -1.101 . . . . 0.0 110.346 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.542 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 10.8 mtp85 -91.54 134.88 34.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.123 -1.221 . . . . 0.0 109.925 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 94.7 p -99.8 130.81 46.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.861 . . . . 0.0 110.479 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.446 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.6 m-20 -123.47 134.84 53.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.776 . . . . 0.0 109.991 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.618 HG22 ' CE2' ' A' ' 35' ' ' TYR . 26.1 m -99.64 123.52 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CD1' HG21 ' A' ' 20' ' ' VAL . 69.0 m-85 -110.49 157.75 19.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.447 -0.783 . . . . 0.0 109.565 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.618 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.8 OUTLIER -140.3 145.17 36.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.966 . . . . 0.0 110.751 -179.522 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -110.11 141.29 43.19 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.503 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.1 p -54.6 -177.75 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.221 -0.924 . . . . 0.0 110.263 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.779 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -84.95 -7.81 9.24 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.476 1.251 . . . . 0.0 111.671 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 t -165.91 46.76 0.08 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 118.357 -1.337 . . . . 0.0 112.295 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 106.39 91.0 2.2 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.993 -1.099 . . . . 0.0 111.653 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 165.69 113.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.477 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.56 126.74 31.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 111.351 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.601 HG21 HD12 ' A' ' 49' ' ' LEU . 37.9 mm -117.82 149.21 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.11 -21.55 5.41 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.014 -1.054 . . . . 0.0 111.407 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -155.42 -155.57 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.976 -1.078 . . . . 0.0 110.61 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -75.22 -46.15 35.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 110.261 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.56 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 3.0 t -54.53 -61.07 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.06 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.0 tp10 -49.5 -36.15 22.14 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.001 HD23 HD13 ' A' ' 59' ' ' LEU . 7.8 tp -65.69 -42.39 91.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 57' ' ' CYS . 52.0 m -65.9 -20.88 66.38 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 19.9 mmt85 -68.68 -55.94 9.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.277 -0.889 . . . . 0.0 109.567 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.7 t80 -56.78 -34.89 68.08 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.907 ' CD1' HD11 ' A' ' 59' ' ' LEU . 7.0 mt -80.41 -22.87 40.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.572 -0.705 . . . . 0.0 110.185 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.4 154.88 11.08 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.1 -21.97 31.16 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.881 1.464 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.21 -19.37 36.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.408 -0.808 . . . . 0.0 110.114 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.475 ' O ' HG23 ' A' ' 50' ' ' THR . 8.5 t -88.61 132.22 34.64 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.257 -0.902 . . . . 0.0 110.069 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 173.67 6.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.326 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.001 HD13 HD23 ' A' ' 49' ' ' LEU . 52.1 mt -148.39 49.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 109.335 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -65.46 -13.24 58.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.623 -0.673 . . . . 0.0 111.102 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.4 mt -97.38 -10.38 25.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.152 -0.968 . . . . 0.0 110.775 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' HD23 ' A' ' 69' ' ' LEU . 35.6 t80 -76.79 121.98 24.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.13 -0.981 . . . . 0.0 109.274 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -90.35 18.53 6.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.206 -0.934 . . . . 0.0 111.252 -179.005 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 63' ' ' ASP . 82.9 t80 55.63 -81.44 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.375 -0.828 . . . . 0.0 110.851 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -57.31 -52.77 64.0 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.222 -0.924 . . . . 0.0 110.665 -179.791 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HB3' HD11 ' A' ' 68' ' ' ILE . 12.3 mm-40 -53.75 -38.83 64.78 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.199 -0.938 . . . . 0.0 110.41 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.04 24.2 64.61 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.892 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.5 pp -136.68 154.62 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.23 -1.159 . . . . 0.0 110.136 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.919 HD12 ' O ' ' A' ' 10' ' ' ALA . 8.3 mt . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 30.1 m95 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.134 0.493 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -108.6 160.22 16.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.31 -0.869 . . . . 0.0 110.108 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.64 178.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.263 -0.898 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.1 t -152.21 88.59 4.07 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.413 -0.805 . . . . 0.0 109.947 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.7 Cg_endo -72.81 -6.6 19.31 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 O-C-N 123.995 1.523 . . . . 0.0 111.639 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.826 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -52.72 -37.26 58.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.231 -0.918 . . . . 0.0 110.939 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.94 HD22 ' CZ2' ' A' ' 15' ' ' TRP . 4.4 mp -111.89 -63.25 1.45 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.857 . . . . 0.0 110.787 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.24 -160.17 24.09 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.74 145.98 37.57 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.888 1.467 . . . . 0.0 110.724 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.775 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 100.74 -36.93 3.83 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.94 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 77.4 m95 -60.76 147.75 41.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.415 -1.05 . . . . 0.0 110.868 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -140.17 151.7 45.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.717 . . . . 0.0 109.794 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -132.93 142.97 49.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 0.0 110.595 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.44 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 7.2 ttt180 -133.33 141.72 48.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.588 -0.695 . . . . 0.0 109.386 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.53 129.03 45.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 110.015 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.7 t -115.82 99.86 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.467 -0.771 . . . . 0.0 110.348 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -82.36 49.94 1.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.232 -0.918 . . . . 0.0 109.954 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.587 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 49.16 -179.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.367 -0.833 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.0 ttpt -140.89 -36.53 0.46 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.435 -0.79 . . . . 0.0 109.868 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 167.97 -168.16 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.455 -0.778 . . . . 0.0 110.772 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.96 -91.88 1.0 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.5 -43.08 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.598 -0.942 . . . . 0.0 108.975 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.431 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 44.4 p -75.31 -1.49 23.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.893 -0.505 . . . . 0.0 109.947 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -42.8 140.37 1.36 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.533 -0.73 . . . . 0.0 111.876 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 -17.03 49.65 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.511 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 57.0 mtp85 -82.18 149.76 27.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -1.183 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 p -113.51 103.31 11.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 110.218 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 95.1 m-20 -99.91 124.41 45.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 110.058 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.594 HG22 ' CE2' ' A' ' 35' ' ' TYR . 94.4 m -99.25 112.4 24.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 0.0 110.057 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 86.1 m-85 -100.46 151.64 21.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.504 -0.747 . . . . 0.0 109.699 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.594 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -140.07 154.0 46.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.182 -0.949 . . . . 0.0 110.287 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -115.32 149.92 37.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.498 -0.751 . . . . 0.0 109.3 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.557 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 6.3 m -55.37 -178.22 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.39 -0.819 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.775 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.8 Cg_endo -85.93 1.81 7.8 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.301 1.158 . . . . 0.0 112.864 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.48 HG22 ' OH ' ' A' ' 52' ' ' TYR . 11.4 t -167.06 16.8 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.625 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 137.86 83.58 0.12 Allowed Glycine 0 N--CA 1.497 2.723 0 C-N-CA 118.592 -1.766 . . . . 0.0 112.2 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.557 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 4.4 t0 169.05 121.17 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.765 -0.844 . . . . 0.0 108.94 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 137.8 37.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.808 . . . . 0.0 110.875 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.869 HG23 ' HB3' ' A' ' 48' ' ' GLU . 47.1 mt -136.16 146.34 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.53 -0.731 . . . . 0.0 109.178 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.95 1.69 3.95 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.112 -0.992 . . . . 0.0 111.383 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.7 m -161.23 -165.87 1.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.849 -1.157 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.11 -47.19 29.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.178 -0.951 . . . . 0.0 109.947 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 3.2 t -52.94 -52.21 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 0.0 108.95 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.869 ' HB3' HG23 ' A' ' 43' ' ' ILE . 5.0 mm-40 -52.11 -40.05 60.74 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.996 HD23 HD13 ' A' ' 59' ' ' LEU . 3.1 tp -64.6 -40.3 95.27 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 57' ' ' CYS . 98.3 m -67.49 -22.51 65.46 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.0 mtp180 -68.41 -58.57 4.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.231 -0.918 . . . . 0.0 109.848 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 13.1 t80 -57.82 -29.93 65.32 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.293 -0.879 . . . . 0.0 109.986 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.886 ' CD1' HD11 ' A' ' 59' ' ' LEU . 19.2 mt -85.53 -14.62 45.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.416 -0.803 . . . . 0.0 110.445 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.48 153.86 16.79 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.01 -15.4 32.42 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 O-C-N 123.77 1.405 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.38 -17.3 29.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 110.207 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 50' ' ' THR . 2.8 m -90.09 121.33 32.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.299 -0.875 . . . . 0.0 110.139 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -104.49 160.34 15.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 110.209 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.996 HD13 HD23 ' A' ' 49' ' ' LEU . 83.8 mt -139.27 55.5 1.69 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.435 -0.791 . . . . 0.0 110.016 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -12.03 61.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.813 . . . . 0.0 110.559 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt -96.22 -23.63 16.62 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.656 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 60.5 t80 -59.19 144.74 45.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.221 -0.924 . . . . 0.0 110.178 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.57 110.46 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.434 -0.792 . . . . 0.0 110.06 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -56.12 -23.93 37.47 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.374 -0.829 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -61.55 1.66 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.0 110.591 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.39 -52.33 47.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.299 -0.875 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.705 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 99.04 47.5 1.88 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG22 ' HG2' ' A' ' 9' ' ' PRO . 8.4 pt -147.1 150.47 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.489 -1.006 . . . . 0.0 110.055 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 10' ' ' ALA . 3.3 mt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 109.918 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 4.9 m95 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.205 0.526 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 6' ' ' LEU . 77.6 mt -99.57 147.07 25.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.368 -0.832 . . . . 0.0 109.813 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -49.69 167.87 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.39 -0.819 . . . . 0.0 110.785 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.3 t -144.1 85.29 9.02 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 121.471 -0.768 . . . . 0.0 109.649 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.0 Cg_endo -70.57 -8.67 24.15 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 O-C-N 123.872 1.459 . . . . 0.0 111.282 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.919 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -60.79 -15.07 25.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.241 -0.912 . . . . 0.0 110.852 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.747 ' CD2' HD11 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -127.53 -67.64 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.017 -1.052 . . . . 0.0 110.668 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.57 -169.56 39.46 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 119.657 -1.259 . . . . 0.0 110.188 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.68 109.31 2.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.903 1.475 . . . . 0.0 110.752 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.79 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.19 -38.03 1.58 Allowed Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CH2' HD12 ' A' ' 49' ' ' LEU . 78.4 m95 -65.29 140.75 58.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.54 -0.977 . . . . 0.0 111.304 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -132.1 149.11 52.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.735 -0.603 . . . . 0.0 109.404 179.338 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.26 142.38 47.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.258 -0.901 . . . . 0.0 110.573 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 34.1 ttp85 -137.57 132.27 32.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.604 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.55 136.99 38.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.211 -0.931 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 31' ' ' SER . 22.3 t -120.5 100.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 109.978 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 22' ' ' ARG . 42.3 t80 -81.92 41.78 0.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.608 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.37 163.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.428 -0.795 . . . . 0.0 111.127 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.1 mmtt -129.63 -33.84 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 167.03 -165.59 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.293 -0.879 . . . . 0.0 110.799 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -69.42 0.47 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -172.41 -39.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.655 -0.909 . . . . 0.0 108.554 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.444 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 22.1 p -80.19 -0.18 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.626 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.608 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 10.0 t -42.58 133.9 3.27 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.597 -0.689 . . . . 0.0 111.738 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.02 -12.52 37.69 Favored Glycine 0 N--CA 1.493 2.488 0 C-N-CA 119.975 -1.107 . . . . 0.0 110.65 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 82.7 mtt180 -88.51 150.73 22.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.958 -1.319 . . . . 0.0 110.122 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 46.8 p -114.51 101.47 9.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.6 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 2.0 m-20 -99.76 124.82 45.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.421 -0.799 . . . . 0.0 109.879 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.631 HG22 ' CE2' ' A' ' 35' ' ' TYR . 31.0 m -98.91 126.01 44.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 54.7 m-85 -110.61 158.14 18.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.554 -0.716 . . . . 0.0 109.722 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.631 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.5 OUTLIER -140.28 145.73 37.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 110.566 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 62.9 tt0 -107.33 147.22 30.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 109.357 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.565 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -54.15 -176.47 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.533 -0.729 . . . . 0.0 110.43 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.79 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.6 Cg_endo -85.08 -10.29 8.13 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 O-C-N 123.588 1.309 . . . . 0.0 110.462 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -164.94 19.75 0.05 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 118.641 -1.223 . . . . 0.0 112.58 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.88 85.23 0.11 Allowed Glycine 0 N--CA 1.496 2.696 0 C-N-CA 118.966 -1.588 . . . . 0.0 112.117 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.565 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.22 116.12 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.511 -0.993 . . . . 0.0 109.167 178.078 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 120.74 24.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.303 -0.873 . . . . 0.0 111.28 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 48' ' ' GLU . 42.7 mm -119.4 151.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.07 -18.07 4.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.032 -1.043 . . . . 0.0 111.629 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.48 -160.24 1.13 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.944 -1.098 . . . . 0.0 111.134 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -44.59 34.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.497 -0.752 . . . . 0.0 109.965 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 7.5 t -58.92 -58.7 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.0 109.174 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.615 ' HB3' HG23 ' A' ' 43' ' ' ILE . 4.0 tt0 -49.85 -39.01 37.7 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.445 -0.785 . . . . 0.0 109.212 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.747 HD11 ' CD2' ' A' ' 11' ' ' LEU . 64.4 tp -66.21 -42.12 89.19 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.0 m -66.4 -15.19 63.11 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.769 -0.582 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.501 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 5.1 mtp180 -78.29 -59.85 2.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 0.0 110.376 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 3.8 t80 -59.72 -23.73 63.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.322 -0.861 . . . . 0.0 110.283 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.679 ' CD1' HD11 ' A' ' 59' ' ' LEU . 33.1 mt -88.89 3.75 50.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.596 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.14 154.62 30.06 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.01 -21.67 20.46 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.747 1.393 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.16 12.18 18.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.292 -0.88 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 t -121.72 67.59 0.91 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.154 -0.966 . . . . 0.0 110.097 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.565 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.6 m-20 -62.07 170.47 2.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.346 -0.846 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.679 HD11 ' CD1' ' A' ' 53' ' ' LEU . 87.5 mt -138.85 50.27 1.85 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.998 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -23.08 30.51 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.354 -0.841 . . . . 0.0 110.58 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 69' ' ' LEU . 18.5 mt -96.41 16.47 18.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 23.6 t80 -107.53 114.65 28.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.25 -0.906 . . . . 0.0 109.821 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.92 128.54 33.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.314 -0.866 . . . . 0.0 109.68 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.22 -57.2 9.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -58.28 -49.41 77.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.343 -0.848 . . . . 0.0 110.755 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.41 -51.92 18.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.305 -0.872 . . . . 0.0 110.371 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.45 44.33 7.46 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.919 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -146.69 155.34 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.414 -1.05 . . . . 0.0 110.316 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 61' ' ' LEU . 7.8 mt . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.427 ' NE1' ' HD2' ' A' ' 18' ' ' ARG . 56.9 m95 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.308 0.575 . . . . 0.0 110.119 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -108.49 160.25 16.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 0.0 109.897 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 166.04 3.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 51.9 t -143.96 87.33 8.07 Favored Pre-proline 0 N--CA 1.487 1.421 0 O-C-N 121.566 -0.709 . . . . 0.0 109.257 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.56 -2.48 10.82 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 O-C-N 124.106 1.582 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.887 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -58.96 -14.43 9.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.009 -1.057 . . . . 0.0 110.879 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.955 HD11 HD21 ' A' ' 49' ' ' LEU . 4.6 mp -130.23 -69.59 0.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.103 -0.998 . . . . 0.0 110.633 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.35 -164.75 28.37 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.52 139.75 28.92 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 O-C-N 123.879 1.463 . . . . 0.0 110.715 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.737 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 108.29 -37.48 3.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.784 ' CE2' HD22 ' A' ' 11' ' ' LEU . 57.0 m95 -59.25 137.84 57.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.549 -0.971 . . . . 0.0 111.344 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 140.78 46.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.596 -0.69 . . . . 0.0 109.224 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -123.38 148.02 46.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.175 -0.953 . . . . 0.0 111.003 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' A' ' 33' ' ' THR . 17.0 ttt180 -135.91 143.39 44.94 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 109.911 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.27 129.61 46.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 110.236 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 31' ' ' SER . 47.7 t -115.11 95.08 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.817 . . . . 0.0 109.975 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -79.86 51.35 1.31 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.315 -0.866 . . . . 0.0 110.54 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.602 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 49.7 173.54 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.932 0.872 . . . . 0.0 111.404 179.38 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.5 ttmm -126.87 -41.11 1.84 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.52 -0.737 . . . . 0.0 109.145 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 1.8 p 163.7 -177.59 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.775 -0.578 . . . . 0.0 110.498 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.59 -96.56 0.84 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.37 -46.91 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.615 -0.932 . . . . 0.0 108.839 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.46 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 76.0 p -74.09 -5.64 42.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.934 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.602 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 28.1 p -40.47 144.92 0.2 Allowed 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.414 0.626 . . . . 0.0 111.947 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.46 -19.52 52.29 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 8.8 mtp85 -78.67 152.8 31.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -1.2 . . . . 0.0 110.309 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 3.4 t -118.2 105.28 11.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.405 -0.809 . . . . 0.0 110.209 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.4 m-20 -99.32 123.83 43.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.448 -0.783 . . . . 0.0 109.789 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 2.0 m -98.99 113.81 26.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.397 -0.814 . . . . 0.0 110.424 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 91.2 m-85 -107.37 143.03 36.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.565 -0.709 . . . . 0.0 109.498 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.422 ' OH ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.1 149.14 42.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.171 -0.955 . . . . 0.0 110.391 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -104.88 153.87 20.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.465 -0.772 . . . . 0.0 109.666 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.566 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 4.1 p -56.06 -175.1 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.508 -0.745 . . . . 0.0 110.249 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.737 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -82.91 -8.82 11.0 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.597 1.314 . . . . 0.0 111.269 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -168.58 22.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.19 -1.404 . . . . 0.0 113.12 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.84 77.22 0.03 OUTLIER Glycine 0 N--CA 1.498 2.774 0 C-N-CA 118.659 -1.734 . . . . 0.0 112.302 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.51 106.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.505 -0.997 . . . . 0.0 109.42 177.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.614 ' C ' HD12 ' A' ' 43' ' ' ILE . 10.3 tpp180 -80.16 125.44 29.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.753 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 42' ' ' ARG . 1.4 mp -112.79 145.58 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 109.537 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -119.08 3.45 11.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.407 -0.808 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.516 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -169.64 -165.66 0.52 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.169 -0.957 . . . . 0.0 110.393 -179.335 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 45' ' ' SER . 5.7 ttpt -78.57 -40.8 33.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.387 -0.821 . . . . 0.0 108.796 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 39.7 t -58.74 -52.29 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.34 -0.85 . . . . 0.0 108.844 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.487 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 4.9 mm-40 -51.34 -37.85 49.99 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.006 HD23 HD13 ' A' ' 59' ' ' LEU . 2.4 tp -67.37 -44.94 77.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.1 m -63.42 -17.23 62.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.753 -0.592 . . . . 0.0 110.105 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 8.1 mtt-85 -76.83 -60.66 2.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 110.454 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 3.5 t80 -58.88 -21.07 56.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.324 -0.86 . . . . 0.0 110.373 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.794 ' CD1' HD11 ' A' ' 59' ' ' LEU . 45.3 mt -92.24 -18.24 23.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.39 156.65 18.63 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.55 -19.25 32.58 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.877 1.461 . . . . 0.0 110.454 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.08 14.03 17.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.878 . . . . 0.0 110.305 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.5 m -120.47 67.98 0.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 110.026 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -57.71 159.4 5.26 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.331 -0.856 . . . . 0.0 110.352 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.006 HD13 HD23 ' A' ' 49' ' ' LEU . 97.7 mt -140.66 50.36 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.481 -0.762 . . . . 0.0 110.106 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -27.37 69.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.225 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 4.5 mt -77.67 -19.07 55.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.383 -0.823 . . . . 0.0 110.484 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 34.1 t80 -68.84 147.11 52.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 110.278 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.27 117.74 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.412 -0.805 . . . . 0.0 110.165 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 51.7 t80 -58.07 -30.37 66.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.45 -0.781 . . . . 0.0 110.262 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -90.35 -63.88 1.21 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.482 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.37 -35.92 76.85 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.325 -0.859 . . . . 0.0 110.581 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.63 42.79 31.47 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.887 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -145.19 159.78 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.429 -1.042 . . . . 0.0 110.201 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 61' ' ' LEU . 4.8 mt . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.476 -0.765 . . . . 0.0 110.046 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 25.3 m95 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.138 0.494 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 mt -102.6 160.59 14.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.375 -0.828 . . . . 0.0 110.188 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.3 175.81 1.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.185 -0.947 . . . . 0.0 110.422 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -148.92 87.33 5.45 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.437 -0.79 . . . . 0.0 109.572 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.3 Cg_endo -72.89 -5.69 17.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.903 1.475 . . . . 0.0 111.685 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.868 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -52.24 -63.97 0.97 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.202 -0.936 . . . . 0.0 110.917 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.72 HD21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mp -79.68 -57.74 3.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.387 -0.82 . . . . 0.0 110.472 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 -171.56 44.22 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.33 97.78 1.05 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.9 1.474 . . . . 0.0 110.708 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.839 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 162.5 -31.23 0.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.67 ' CE2' HD22 ' A' ' 11' ' ' LEU . 60.4 m95 -75.08 158.94 32.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.516 -0.991 . . . . 0.0 111.817 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 22.3 mmtt -138.84 149.82 45.34 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.46 145.14 47.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.164 -0.96 . . . . 0.0 110.762 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -140.13 134.89 31.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.698 -0.627 . . . . 0.0 109.412 179.355 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.5 122.89 43.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.195 -0.941 . . . . 0.0 110.16 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 34' ' ' TYR . 16.5 t -108.64 96.87 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.534 -0.729 . . . . 0.0 110.406 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.1 t80 -84.9 42.97 0.96 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.327 -0.858 . . . . 0.0 109.951 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.83 165.06 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.643 0.735 . . . . 0.0 111.033 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -131.8 -33.63 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.013 . . . . 0.0 110.481 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 3.0 t 169.94 -173.38 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.365 -0.834 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.504 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 105.76 -95.01 1.03 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.22 -41.75 0.23 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.43 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 39.8 p -76.71 -1.03 25.87 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.905 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.3 p -44.23 135.02 4.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.544 -0.723 . . . . 0.0 111.661 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.51 -12.77 36.06 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.024 -1.084 . . . . 0.0 110.581 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 12.4 mtt180 -89.28 150.31 22.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.026 -1.279 . . . . 0.0 110.369 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 79.9 p -116.91 105.98 12.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -110.01 128.47 55.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 109.983 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.647 HG22 ' CE2' ' A' ' 35' ' ' TYR . 29.9 m -99.54 122.47 42.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 0.0 110.187 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CD1' HG21 ' A' ' 20' ' ' VAL . 42.2 m-85 -105.1 158.83 16.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.439 -0.788 . . . . 0.0 109.467 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.647 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.4 OUTLIER -140.27 143.8 36.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.111 -0.993 . . . . 0.0 110.975 -179.23 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.449 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -99.77 145.44 27.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.15 178.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.543 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -53.25 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.54 -0.725 . . . . 0.0 110.906 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.839 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.3 Cg_endo -81.86 -8.73 12.16 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.538 1.283 . . . . 0.0 111.431 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -159.96 -7.21 0.06 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.196 -1.402 . . . . 0.0 113.206 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.61 82.01 0.04 OUTLIER Glycine 0 N--CA 1.497 2.713 0 C-N-CA 118.53 -1.795 . . . . 0.0 111.978 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.543 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 t70 172.89 118.48 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.597 -0.943 . . . . 0.0 108.927 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.51 136.35 36.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.26 -0.9 . . . . 0.0 110.883 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.596 HD13 ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -128.5 160.31 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.427 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -140.6 3.68 1.9 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -163.58 -169.36 1.91 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.871 -1.143 . . . . 0.0 110.594 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -79.92 -45.96 17.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 109.471 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 30.8 t -55.13 -45.94 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.468 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -54.12 -37.07 63.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.138 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.783 HD23 HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -69.51 -47.71 62.94 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.325 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -58.53 -21.67 53.01 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.187 0.518 . . . . 0.0 110.028 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.4 mtt180 -74.53 -55.46 5.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 110.204 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.474 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -66.12 -12.8 58.1 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.459 -0.776 . . . . 0.0 110.771 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.694 ' CD1' HD11 ' A' ' 59' ' ' LEU . 52.9 mt -104.2 -1.22 27.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 110.875 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.17 154.12 23.21 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.39 -24.45 26.78 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.759 1.4 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.24 21.93 9.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.306 -0.871 . . . . 0.0 110.126 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -116.12 62.97 0.7 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 0.0 110.077 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 160.38 7.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.783 HD13 HD23 ' A' ' 49' ' ' LEU . 96.8 mt -138.52 67.62 1.4 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.471 -0.768 . . . . 0.0 110.076 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -8.87 57.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.505 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mt -99.25 -19.34 17.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.947 . . . . 0.0 110.569 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.651 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 68.0 t80 -73.9 129.84 38.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.321 -0.862 . . . . 0.0 110.111 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.8 t0 -92.67 122.77 35.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.07 -59.04 6.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.367 -0.833 . . . . 0.0 110.329 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.2 -58.11 9.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.389 -0.819 . . . . 0.0 111.074 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 27.3 mt-30 -66.04 -55.94 14.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.163 -0.961 . . . . 0.0 110.569 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 90.78 50.92 2.77 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.574 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.4 pt -147.45 157.67 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.408 -1.054 . . . . 0.0 110.261 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.8 mt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 109.901 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.429 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 23.0 m95 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.228 0.537 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.66 160.56 16.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.853 . . . . 0.0 110.147 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -72.35 173.27 8.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.209 -0.932 . . . . 0.0 110.393 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -150.18 89.14 4.61 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.42 -0.8 . . . . 0.0 109.685 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.8 Cg_endo -72.34 -4.95 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 O-C-N 123.992 1.522 . . . . 0.0 111.616 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.743 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -59.63 -16.01 23.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.069 -1.02 . . . . 0.0 110.991 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.999 HD11 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -126.5 -69.3 0.77 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.985 -1.072 . . . . 0.0 110.417 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.22 -162.4 27.93 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.11 141.49 32.77 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.829 1.436 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.8 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 106.21 -30.42 9.65 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.971 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 50.8 m95 -66.86 140.72 57.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.44 -1.035 . . . . 0.0 111.664 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 19.0 mmtt -140.13 147.64 40.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.764 -0.585 . . . . 0.0 109.441 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 35' ' ' TYR . 60.2 ttp180 -125.38 150.37 47.29 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 110.586 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 45.3 ttp85 -140.11 140.77 36.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.541 -0.724 . . . . 0.0 109.579 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.91 137.73 37.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 34' ' ' TYR . 24.6 t -121.57 98.04 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.892 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.3 m-85 -80.1 46.16 0.79 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.163 -0.961 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.613 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.82 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.259 -0.9 . . . . 0.0 111.086 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -131.71 -33.42 1.41 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 0.0 110.638 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 167.58 -165.65 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.275 -0.89 . . . . 0.0 110.944 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.87 -73.84 0.47 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.88 -40.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.454 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 24.0 p -77.63 -1.47 31.07 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.606 178.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 11.9 t -41.47 133.33 2.57 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.575 -0.703 . . . . 0.0 111.721 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.47 -15.4 29.8 Favored Glycine 0 N--CA 1.493 2.493 0 C-N-CA 120.011 -1.09 . . . . 0.0 110.751 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 80.0 mtt180 -83.96 166.41 17.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.313 . . . . 0.0 110.301 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 32.1 p -127.0 103.19 7.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.428 -0.795 . . . . 0.0 110.624 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.8 m-20 -99.98 122.17 42.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.496 -0.753 . . . . 0.0 109.786 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.633 HG22 ' CE2' ' A' ' 35' ' ' TYR . 90.7 m -99.01 120.96 40.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 110.078 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 73.2 m-85 -106.6 160.43 15.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.506 -0.746 . . . . 0.0 109.713 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.633 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.9 OUTLIER -138.85 150.53 46.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.028 -1.045 . . . . 0.0 110.865 -179.377 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.95 138.42 50.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.595 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 4.3 m -53.26 176.31 0.1 Allowed Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 110.288 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.8 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.2 Cg_endo -82.39 0.23 9.85 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.308 1.162 . . . . 0.0 112.259 -178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -165.39 20.28 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.872 -1.531 . . . . 0.0 113.024 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.47 80.04 0.17 Allowed Glycine 0 N--CA 1.495 2.594 0 C-N-CA 118.925 -1.607 . . . . 0.0 112.337 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.595 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 178.06 116.8 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.485 -1.009 . . . . 0.0 109.519 177.813 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -79.86 137.93 37.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.387 -0.821 . . . . 0.0 110.712 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.882 HG21 HD12 ' A' ' 49' ' ' LEU . 28.3 mt -140.18 150.92 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.509 -0.744 . . . . 0.0 109.413 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.69 -2.74 6.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 111.353 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 m -159.15 -166.73 1.9 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.137 . . . . 0.0 110.429 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -77.08 -47.16 21.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.223 -0.923 . . . . 0.0 110.058 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 3.8 t -51.8 -49.38 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 108.785 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.858 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -51.57 -36.18 44.31 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.264 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.999 HD21 HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -67.14 -44.29 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.035 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.6 m -63.3 -17.51 62.61 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.089 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 15.2 mtp180 -77.84 -63.93 1.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.279 -0.888 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 4.1 t80 -57.93 -27.38 63.32 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.306 -0.871 . . . . 0.0 110.23 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.765 ' CD1' HD11 ' A' ' 59' ' ' LEU . 50.5 mt -83.42 1.8 39.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.393 -0.817 . . . . 0.0 110.439 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.52 154.29 30.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -75.12 -3.87 14.55 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.722 1.38 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.54 -11.71 19.06 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.59 -166.09 0.05 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.027 -1.046 . . . . 0.0 110.244 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -169.55 129.84 1.04 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.814 HD13 HD23 ' A' ' 49' ' ' LEU . 34.7 mt -133.71 43.44 2.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.386 -0.821 . . . . 0.0 109.817 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -21.22 59.88 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.481 -0.762 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.36 -20.1 20.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.4 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.656 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 27.6 t80 -61.22 135.57 57.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.232 -0.918 . . . . 0.0 110.217 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.9 t70 -101.63 135.9 42.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.478 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -74.97 -66.66 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 110.848 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -28.93 23.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 111.26 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.768 ' OE1' HD11 ' A' ' 68' ' ' ILE . 41.2 mt-30 -96.3 -47.98 5.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.176 -0.952 . . . . 0.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.99 47.7 6.08 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.768 HD11 ' OE1' ' A' ' 66' ' ' GLN . 0.9 OUTLIER -145.46 159.64 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.311 -1.111 . . . . 0.0 110.184 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 69' ' ' LEU . 4.6 mt . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 110.063 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 24.1 m95 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.252 0.548 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 148.47 26.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.411 -0.805 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.17 159.9 1.75 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 110.642 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.84 80.73 48.45 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.502 -0.749 . . . . 0.0 109.564 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HG2' HG22 ' A' ' 68' ' ' ILE . 39.4 Cg_endo -70.47 -5.21 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 O-C-N 123.961 1.506 . . . . 0.0 111.371 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.859 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -58.4 -15.65 11.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.244 -0.91 . . . . 0.0 111.027 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.78 ' CD2' HD11 ' A' ' 49' ' ' LEU . 1.1 mp -126.9 -69.1 0.77 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.001 -1.062 . . . . 0.0 110.614 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.28 -178.77 38.7 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.55 91.6 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.858 1.452 . . . . 0.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.807 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 164.31 -31.08 0.25 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.693 ' CH2' HD12 ' A' ' 49' ' ' LEU . 78.2 m95 -72.68 143.74 47.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.485 -1.009 . . . . 0.0 111.469 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 6.2 mmtt -130.97 153.34 49.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.2 148.68 52.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 110.569 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -139.92 160.19 40.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.21 -0.931 . . . . 0.0 110.173 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.15 131.18 55.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.377 -0.827 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.601 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -118.37 95.26 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -83.52 42.41 0.83 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.498 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.37 169.66 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.357 -0.84 . . . . 0.0 111.172 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' SER . 1.2 tppt? -137.76 -32.32 0.75 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.121 -0.987 . . . . 0.0 110.698 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.499 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 6.2 t 169.13 -170.76 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.441 -0.787 . . . . 0.0 110.677 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 104.0 -76.43 0.27 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.16 -40.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.96 . . . . 0.0 108.581 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.433 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 29.9 p -78.5 0.94 24.04 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.539 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.21 135.27 3.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.612 -0.68 . . . . 0.0 111.798 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 -14.21 39.57 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.702 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 54.3 mtt180 -86.03 143.58 28.03 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.029 -1.277 . . . . 0.0 110.278 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 56.7 p -113.17 102.07 10.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.438 -0.789 . . . . 0.0 110.46 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.35 131.35 51.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.772 . . . . 0.0 109.957 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 18' ' ' ARG . 24.8 m -99.28 121.73 41.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD1' HG21 ' A' ' 20' ' ' VAL . 33.5 m-85 -103.08 157.96 16.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.889 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -140.2 155.12 47.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.214 -0.929 . . . . 0.0 110.264 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 29.2 tt0 -115.21 148.73 38.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.846 . . . . 0.0 109.453 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.597 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -54.28 -174.9 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.501 -0.749 . . . . 0.0 110.465 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.807 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 51.4 Cg_endo -81.5 -20.49 6.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 O-C-N 123.483 1.254 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -156.53 15.06 0.3 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.386 -1.325 . . . . 0.0 113.061 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 151.78 83.13 0.04 OUTLIER Glycine 0 N--CA 1.497 2.753 0 C-N-CA 118.492 -1.813 . . . . 0.0 112.426 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.597 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.27 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.68 -0.894 . . . . 0.0 109.202 177.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -98.8 118.44 35.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.26 -0.9 . . . . 0.0 111.205 -179.053 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.409 HG12 ' CH2' ' A' ' 15' ' ' TRP . 1.2 mp -108.47 148.91 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -132.71 1.91 3.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 111.13 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.44 -165.73 0.8 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.891 -1.13 . . . . 0.0 110.967 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.37 -52.31 19.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.287 -0.883 . . . . 0.0 109.531 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 5.7 t -52.24 -57.79 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.592 -0.693 . . . . 0.0 109.378 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -47.99 -46.86 33.15 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.672 0.749 . . . . 0.0 109.62 179.082 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.78 HD11 ' CD2' ' A' ' 11' ' ' LEU . 61.5 tp -63.73 -47.13 82.33 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.726 0.774 . . . . 0.0 109.002 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -61.2 -15.47 34.54 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.691 -0.631 . . . . 0.0 110.324 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.4 mtt180 -79.68 -62.68 1.61 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.117 -0.989 . . . . 0.0 110.73 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 17.6 t80 -53.15 -27.95 23.63 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.216 -0.927 . . . . 0.0 110.56 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.69 HD11 ' CD2' ' A' ' 11' ' ' LEU . 16.4 mt -80.63 -6.65 58.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.372 -0.83 . . . . 0.0 110.826 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.94 156.95 28.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.61 -20.79 26.4 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.959 1.505 . . . . 0.0 110.394 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.66 25.97 4.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 m -127.88 115.24 18.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.807 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -104.54 161.6 13.97 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.34 -0.85 . . . . 0.0 110.213 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 58' ' ' ASP . 29.1 mt -134.63 68.41 1.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -13.64 62.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.326 -0.859 . . . . 0.0 110.605 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 69' ' ' LEU . 52.5 mt -109.61 16.79 21.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.214 -0.929 . . . . 0.0 110.633 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.676 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 92.4 t80 -99.66 114.31 27.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.21 -0.931 . . . . 0.0 110.297 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.16 112.31 20.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.359 -0.838 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.81 -55.67 18.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 56.97 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.543 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HB3' HD11 ' A' ' 68' ' ' ILE . 1.1 mt-30 -176.81 -55.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.348 -0.845 . . . . 0.0 110.128 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 83.83 52.07 3.8 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.859 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pp -159.0 154.45 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.332 -1.099 . . . . 0.0 110.493 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 61' ' ' LEU . 6.4 mt . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 36.0 m95 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.221 0.534 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.43 160.86 19.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.389 -0.82 . . . . 0.0 110.199 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.26 179.68 0.93 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.224 -0.922 . . . . 0.0 110.225 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 15' ' ' TRP . 50.8 t -153.6 88.27 3.67 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.409 -0.807 . . . . 0.0 109.813 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.1 Cg_endo -73.2 -5.27 16.88 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.887 1.467 . . . . 0.0 111.67 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -57.61 -19.2 24.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.016 . . . . 0.0 111.167 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.604 HD21 HD11 ' A' ' 49' ' ' LEU . 1.2 mt -134.75 -61.93 0.75 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.066 -1.021 . . . . 0.0 110.462 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.09 -174.95 31.57 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -83.04 23.26 0.83 Allowed 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.685 1.361 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . -113.33 -24.23 4.84 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.745 ' CH2' HD13 ' A' ' 49' ' ' LEU . 47.9 m95 -75.97 155.26 35.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.417 -1.049 . . . . 0.0 111.776 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 4.6 tptt -137.68 143.75 41.46 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -120.68 135.27 55.17 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.1 -1.0 . . . . 0.0 110.987 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 40.9 ttp85 -130.47 133.87 46.63 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.57 145.9 27.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.107 -0.996 . . . . 0.0 110.413 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 32' ' ' ASP . 13.7 t -130.69 106.06 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.497 -0.752 . . . . 0.0 110.08 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.6 t80 -83.58 50.19 1.74 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.132 -0.98 . . . . 0.0 110.372 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.625 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 48.66 -179.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 111.126 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 24' ' ' SER . 0.0 OUTLIER -143.35 -42.06 0.29 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.343 -0.848 . . . . 0.0 110.225 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 54.8 p 177.15 -163.43 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.29 -0.881 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.0 -91.5 1.31 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.62 -41.98 0.14 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.927 0.87 . . . . 0.0 108.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.429 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 40.9 p -76.4 -1.61 27.82 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.171 0.51 . . . . 0.0 109.967 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 41.7 t -43.97 139.22 2.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.457 -0.777 . . . . 0.0 111.835 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.41 -13.8 54.55 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.662 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.48 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 55.9 mtt180 -88.93 157.03 18.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.268 . . . . 0.0 110.454 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -112.16 129.13 56.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.401 -0.812 . . . . 0.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.486 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.5 m-20 -119.98 126.15 50.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.423 -0.798 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 35' ' ' TYR . 3.1 m -99.52 112.11 24.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -0.799 . . . . 0.0 110.335 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 87.9 m-85 -107.88 146.19 32.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.589 -0.694 . . . . 0.0 109.297 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -140.07 151.76 45.64 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.964 -1.085 . . . . 0.0 110.658 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.369 -0.832 . . . . 0.0 109.829 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.479 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -53.63 -176.39 0.03 OUTLIER Pre-proline 0 N--CA 1.496 1.875 0 O-C-N 121.731 -0.606 . . . . 0.0 110.478 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.0 Cg_endo -80.47 -24.38 5.34 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 123.499 1.263 . . . . 0.0 111.19 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.0 t -149.88 5.86 0.6 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.359 -1.336 . . . . 0.0 113.145 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.05 82.65 0.04 OUTLIER Glycine 0 N--CA 1.496 2.684 0 C-N-CA 118.42 -1.848 . . . . 0.0 112.073 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.37 127.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.411 -1.052 . . . . 0.0 110.275 178.039 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' O ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -81.92 119.78 24.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.436 -0.79 . . . . 0.0 109.881 179.772 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 48' ' ' GLU . 45.9 mm -122.3 154.3 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.829 . . . . 0.0 109.752 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -134.96 -15.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 111.589 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -145.1 -161.77 1.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.936 -1.102 . . . . 0.0 110.941 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' N ' ' OG ' ' A' ' 45' ' ' SER . 11.1 ttpt -78.97 -40.9 30.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 9.9 t -60.84 -59.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.391 -0.818 . . . . 0.0 109.291 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.676 ' HB3' HG23 ' A' ' 43' ' ' ILE . 2.9 tp10 -48.59 -37.28 17.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.43 -0.794 . . . . 0.0 109.304 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.745 HD13 ' CH2' ' A' ' 15' ' ' TRP . 3.3 tp -71.08 -47.82 56.11 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 57' ' ' CYS . 23.3 m -56.05 -28.35 57.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.449 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.446 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.8 mtt180 -64.54 -55.74 18.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.407 -0.808 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 10.5 t80 -54.34 -25.15 22.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -0.821 . . . . 0.0 109.771 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.845 ' CD1' HD11 ' A' ' 59' ' ' LEU . 16.1 mt -88.92 -18.31 27.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.517 -0.739 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.8 156.15 8.84 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.15 -11.54 31.88 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.827 1.435 . . . . 0.0 110.627 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.89 26.69 9.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 109.987 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.853 ' O ' HG23 ' A' ' 50' ' ' THR . 8.1 m -115.21 77.97 1.12 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.26 166.83 20.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.852 . . . . 0.0 110.11 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.845 HD11 ' CD1' ' A' ' 53' ' ' LEU . 58.0 mt -143.91 65.69 1.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.819 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -17.89 54.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -0.788 . . . . 0.0 110.565 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.47 -34.08 17.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.639 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.695 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 36.3 t80 -63.68 119.34 9.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.207 -0.933 . . . . 0.0 110.143 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.36 143.1 32.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.405 -0.81 . . . . 0.0 110.214 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -82.93 -33.31 26.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.202 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -85.22 -30.75 23.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.27 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -95.91 -39.21 9.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.94 44.49 36.81 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.822 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -144.5 160.1 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.386 -1.067 . . . . 0.0 110.196 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 69' ' ' LEU . 3.9 mt . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.368 -0.832 . . . . 0.0 109.748 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.5 m95 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.224 0.535 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.12 160.47 16.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.29 -0.881 . . . . 0.0 110.257 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.59 165.05 10.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.144 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -144.95 84.9 8.54 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.402 -0.811 . . . . 0.0 109.845 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.879 1.463 . . . . 0.0 111.436 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.792 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -54.9 -25.56 29.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 110.782 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.779 HD21 ' HG ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -117.4 -69.53 0.85 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.372 -0.83 . . . . 0.0 110.514 -179.661 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.86 -170.93 36.39 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.18 110.95 3.16 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.881 1.464 . . . . 0.0 110.678 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.742 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.36 -39.72 1.4 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.705 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 83.1 m95 -60.58 149.62 34.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.509 -0.995 . . . . 0.0 111.193 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -136.6 153.34 50.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.433 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' NH2' ' CE2' ' A' ' 35' ' ' TYR . 44.7 ttm-85 -124.68 142.39 51.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.612 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -137.18 137.18 38.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.675 -0.641 . . . . 0.0 109.291 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.5 133.48 43.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 110.245 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 34' ' ' TYR . 11.2 t -118.18 103.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.4 -0.812 . . . . 0.0 110.215 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.77 49.0 1.68 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.388 -0.82 . . . . 0.0 109.918 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER 48.56 175.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 111.413 179.708 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 24' ' ' SER . 7.0 tppt? -139.38 -37.58 0.5 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 169.92 -172.33 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.348 -0.845 . . . . 0.0 110.881 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -94.57 1.09 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.76 -44.39 0.16 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.674 -0.898 . . . . 0.0 108.9 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.534 ' HB ' ' NH1' ' A' ' 22' ' ' ARG . 63.2 p -75.06 -4.1 36.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.885 -0.509 . . . . 0.0 109.782 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 48.5 t -47.54 150.76 0.91 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.524 -0.735 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.56 -19.99 48.3 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 55.7 mtt-85 -83.86 160.44 21.15 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.052 -1.263 . . . . 0.0 110.481 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 35.9 p -122.96 95.64 4.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.437 -0.789 . . . . 0.0 110.214 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -99.93 129.44 46.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.482 HG22 ' CE2' ' A' ' 35' ' ' TYR . 16.0 m -99.05 128.57 45.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.842 . . . . 0.0 110.225 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.55 ' CD1' HG21 ' A' ' 20' ' ' VAL . 30.2 m-85 -108.53 154.23 22.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.485 -0.759 . . . . 0.0 109.621 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.503 ' CE2' ' NH2' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -140.16 148.42 41.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.062 -1.024 . . . . 0.0 110.827 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.16 151.32 25.56 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.525 -0.734 . . . . 0.0 109.755 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.539 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.2 p -56.78 -174.48 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.446 -0.784 . . . . 0.0 110.226 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.742 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.7 Cg_endo -83.64 -12.06 8.95 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.429 1.226 . . . . 0.0 111.71 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -167.65 39.7 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.41 -1.316 . . . . 0.0 112.623 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 123.55 86.05 0.73 Allowed Glycine 0 N--CA 1.495 2.592 0 C-N-CA 119.394 -1.384 . . . . 0.0 111.717 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.539 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 164.73 112.82 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.522 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -79.89 119.56 22.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.322 -0.861 . . . . 0.0 111.078 -178.862 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.587 HG23 ' HB3' ' A' ' 48' ' ' GLU . 1.2 mp -110.96 145.85 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -126.52 -2.08 6.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.149 -0.97 . . . . 0.0 111.013 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.35 -162.19 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.009 -1.057 . . . . 0.0 110.564 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -78.08 -47.27 18.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 6.9 t -52.91 -50.24 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 108.789 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.587 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.68 -36.61 57.43 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.207 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.962 HD23 HD13 ' A' ' 59' ' ' LEU . 4.1 tp -67.46 -41.94 83.86 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -64.47 -21.76 66.76 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.831 -0.543 . . . . 0.0 109.808 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -71.89 -57.13 4.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -0.844 . . . . 0.0 110.074 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.486 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 12.5 t80 -58.2 -33.56 69.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.337 -0.852 . . . . 0.0 110.031 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.907 ' CD1' HD11 ' A' ' 59' ' ' LEU . 13.9 mt -80.54 -15.94 55.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.447 -0.783 . . . . 0.0 110.506 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.87 156.67 17.92 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.77 -18.29 37.02 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 O-C-N 123.818 1.431 . . . . 0.0 110.44 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.32 24.6 6.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 0.0 109.994 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.8 m -131.44 92.5 3.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 110.163 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.68 166.07 21.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.32 -0.862 . . . . 0.0 110.324 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.962 HD13 HD23 ' A' ' 49' ' ' LEU . 96.0 mt -138.99 66.35 1.42 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 109.719 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -1.09 33.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.437 -0.789 . . . . 0.0 110.874 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.9 mt -115.49 3.24 14.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -0.996 . . . . 0.0 110.69 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.75 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 38.3 t80 -88.17 130.69 34.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 109.903 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -93.45 109.62 21.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -0.808 . . . . 0.0 109.871 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.71 -29.33 62.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.409 -0.807 . . . . 0.0 110.864 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -86.86 -47.07 9.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 111.179 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 13.6 mp0 -75.87 -54.58 6.69 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.792 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 99.56 51.77 1.28 Allowed Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.663 ' N ' ' HB2' ' A' ' 10' ' ' ALA . 5.6 pt -154.36 149.43 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -1.083 . . . . 0.0 110.169 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 10' ' ' ALA . 4.6 mt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.8 m95 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.176 0.512 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 mt -110.49 160.18 16.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.417 -0.802 . . . . 0.0 110.278 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.35 -179.95 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.332 -0.855 . . . . 0.0 110.235 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.8 t -154.26 88.81 3.39 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.603 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.5 Cg_endo -71.38 -6.77 19.88 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.934 1.491 . . . . 0.0 111.412 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.766 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -57.28 -18.06 14.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.97 . . . . 0.0 110.816 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.9 HD22 ' CZ2' ' A' ' 15' ' ' TRP . 4.0 mp -128.52 -68.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.103 -0.998 . . . . 0.0 110.495 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.18 -156.79 17.5 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.99 142.7 31.67 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.86 1.453 . . . . 0.0 110.959 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 99.66 -32.78 6.83 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.9 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 61.6 m95 -65.07 140.38 58.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.37 -1.077 . . . . 0.0 111.45 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -133.72 141.88 47.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.685 -0.634 . . . . 0.0 109.395 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -127.54 142.76 51.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.166 -0.959 . . . . 0.0 110.747 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 5.1 tpt180 -141.16 150.18 42.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.414 -0.804 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.32 155.8 17.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 0.0 109.824 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -139.35 96.67 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.902 . . . . 0.0 109.856 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ARG . 27.7 t80 -79.74 48.74 0.97 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.174 -0.954 . . . . 0.0 110.719 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.631 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 49.61 176.86 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.297 -0.877 . . . . 0.0 110.89 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.2 tppt? -144.17 -31.92 0.44 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 110.687 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 171.09 -179.31 0.05 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.302 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.99 -95.26 0.94 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.66 -43.08 0.21 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.695 -0.886 . . . . 0.0 108.641 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.436 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 44.4 p -74.41 -2.37 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.872 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.631 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.67 136.66 3.32 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.477 -0.765 . . . . 0.0 111.599 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.21 -16.63 32.33 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.103 -1.046 . . . . 0.0 110.575 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 26.7 mtt180 -84.08 164.05 19.47 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.109 -1.23 . . . . 0.0 110.467 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 1.3 t -126.58 107.68 10.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -108.85 127.37 53.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 110.091 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.53 HG22 ' CE2' ' A' ' 35' ' ' TYR . 46.9 m -98.87 123.2 42.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.416 -0.802 . . . . 0.0 109.942 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CD1' HG21 ' A' ' 20' ' ' VAL . 72.0 m-85 -109.47 154.43 22.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.464 -0.772 . . . . 0.0 109.898 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.53 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -140.21 151.34 45.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.355 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -112.11 147.69 35.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.377 -0.827 . . . . 0.0 109.348 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 41' ' ' ASP . 32.4 p -53.97 179.57 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.324 -0.86 . . . . 0.0 109.987 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.2 Cg_endo -85.74 -1.08 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 123.421 1.222 . . . . 0.0 111.805 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.04 15.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.948 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 140.54 82.52 0.08 OUTLIER Glycine 0 N--CA 1.496 2.667 0 C-N-CA 118.828 -1.653 . . . . 0.0 112.069 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.32 113.64 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.663 -0.904 . . . . 0.0 109.087 178.024 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.4 mmm-85 -79.7 116.42 19.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.276 -0.89 . . . . 0.0 111.034 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.808 HG21 HD12 ' A' ' 49' ' ' LEU . 48.3 mm -105.53 151.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.63 -0.669 . . . . 0.0 109.267 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -24.25 3.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 111.112 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.424 ' HG ' ' HE2' ' A' ' 64' ' ' PHE . 1.4 m -142.09 -160.26 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.982 . . . . 0.0 110.603 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -80.15 -46.54 16.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.216 -0.927 . . . . 0.0 110.043 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.2 t -55.18 -53.38 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.948 . . . . 0.0 109.266 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.795 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.27 -37.97 38.73 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.771 0.796 . . . . 0.0 108.877 178.759 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.895 HD21 HD21 ' A' ' 11' ' ' LEU . 1.4 tp -69.22 -47.56 64.43 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.0 m -61.19 -17.29 52.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.744 -0.597 . . . . 0.0 110.282 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.3 mtm180 -79.06 -61.3 2.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.264 -0.897 . . . . 0.0 110.491 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 2.8 t80 -57.55 -20.63 33.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.369 -0.832 . . . . 0.0 110.695 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.615 HD11 HD23 ' A' ' 11' ' ' LEU . 42.6 mt -93.08 -3.47 54.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.225 -0.922 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.61 157.9 33.69 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.49 -22.81 24.25 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 O-C-N 123.831 1.437 . . . . 0.0 110.506 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.32 -10.51 59.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.304 -0.872 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.32 82.82 1.79 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 110.441 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.56 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.3 m-20 -71.85 159.83 33.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 110.014 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.88 HD13 HD23 ' A' ' 49' ' ' LEU . 89.7 mt -138.36 67.04 1.42 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 0.0 110.048 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.86 1.68 38.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.375 -0.828 . . . . 0.0 110.575 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -112.38 -24.44 9.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.154 -0.966 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.737 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 51.4 t80 -55.41 144.53 25.18 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.363 -0.836 . . . . 0.0 110.355 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.6 t70 -110.25 119.77 40.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.507 -0.746 . . . . 0.0 109.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HE2' ' HG ' ' A' ' 45' ' ' SER . 33.0 t80 -67.4 -32.66 73.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.611 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.66 22.06 3.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.428 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 52.0 mt-30 -151.06 -41.03 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.106 -0.997 . . . . 0.0 110.394 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 83.03 53.35 3.51 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.766 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 1.8 pp -156.06 159.42 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.519 -0.989 . . . . 0.0 110.351 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 69' ' ' LEU . 5.2 mt . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.464 -0.772 . . . . 0.0 110.009 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.1 m95 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.139 0.495 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -105.99 160.37 15.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.097 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -58.6 170.73 0.72 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.201 -0.937 . . . . 0.0 110.108 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.0 t -153.56 88.93 3.59 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.2 -0.937 . . . . 0.0 110.127 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.4 Cg_endo -73.55 -5.27 16.82 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 O-C-N 123.973 1.512 . . . . 0.0 111.44 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.766 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -58.89 -16.51 17.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.917 . . . . 0.0 111.116 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.861 HD11 HD21 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -129.69 -64.71 0.87 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.001 -1.062 . . . . 0.0 110.613 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.34 -163.74 29.81 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.64 146.39 43.48 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.97 1.511 . . . . 0.0 110.556 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.706 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 96.52 -32.9 6.06 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.779 ' CE3' HD13 ' A' ' 11' ' ' LEU . 39.3 m95 -60.88 143.83 54.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.424 -1.045 . . . . 0.0 111.41 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -137.42 149.57 47.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.614 -0.679 . . . . 0.0 109.801 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -130.88 150.3 52.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.207 -0.933 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 136.35 34.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.48 -0.762 . . . . 0.0 109.852 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.56 135.48 40.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.85 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.1 t -120.58 100.78 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.441 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.07 45.97 1.23 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.223 -0.923 . . . . 0.0 110.047 179.704 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.623 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 50.12 171.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.504 -0.748 . . . . 0.0 111.22 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.1 tppt? -140.26 -32.95 0.58 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 110.672 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.8 p 171.69 -173.56 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.12 -0.987 . . . . 0.0 111.254 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.76 -94.92 1.13 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.92 -41.5 0.21 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.691 -0.888 . . . . 0.0 108.732 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.433 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 41.1 p -76.37 -1.6 27.67 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.856 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.623 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.8 p -44.53 134.75 5.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.461 -0.775 . . . . 0.0 111.583 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.4 33.05 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.064 -1.065 . . . . 0.0 110.579 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.473 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 66.5 mtt85 -85.85 173.71 9.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.984 -1.304 . . . . 0.0 110.282 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 4.1 p -135.04 99.65 4.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.447 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 79.3 m-20 -99.96 126.37 46.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.376 -0.827 . . . . 0.0 110.137 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.642 HG22 ' CE2' ' A' ' 35' ' ' TYR . 40.2 m -99.24 125.24 44.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.501 -0.749 . . . . 0.0 110.13 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CD1' HG21 ' A' ' 20' ' ' VAL . 57.2 m-85 -109.38 155.94 20.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.526 -0.734 . . . . 0.0 109.928 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -140.28 153.11 46.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.508 -179.647 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -121.76 143.64 49.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.446 -0.784 . . . . 0.0 109.12 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.538 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 43.4 m -52.89 175.36 0.11 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.299 -0.876 . . . . 0.0 109.931 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.706 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.7 Cg_endo -83.53 1.05 9.17 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.389 1.205 . . . . 0.0 112.408 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.437 HG22 ' OH ' ' A' ' 52' ' ' TYR . 8.9 t -164.75 23.66 0.06 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 117.839 -1.544 . . . . 0.0 113.096 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 129.84 86.09 0.43 Allowed Glycine 0 N--CA 1.495 2.624 0 C-N-CA 119.036 -1.554 . . . . 0.0 111.937 177.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.481 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.3 OUTLIER 168.96 116.52 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.743 -0.857 . . . . 0.0 109.069 178.272 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.72 138.07 37.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.344 -0.847 . . . . 0.0 110.78 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.845 HG23 ' HB3' ' A' ' 48' ' ' GLU . 28.9 mt -138.28 152.53 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.587 -0.696 . . . . 0.0 109.187 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -133.46 -1.57 3.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.621 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -161.18 -165.61 1.38 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.694 -1.254 . . . . 0.0 111.519 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -49.31 49.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.717 -0.615 . . . . 0.0 110.081 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.594 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 2.3 t -53.53 -56.99 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.965 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.845 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -49.52 -40.3 37.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.348 -0.845 . . . . 0.0 109.285 179.031 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.974 HD23 HD13 ' A' ' 59' ' ' LEU . 1.8 tp -63.79 -39.32 93.96 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 90.8 m -69.4 -13.91 62.62 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.877 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 7.5 mmt180 -77.47 -59.27 2.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.185 -0.947 . . . . 0.0 109.996 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 12.6 t80 -56.89 -37.14 70.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.34 -0.85 . . . . 0.0 110.082 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.965 ' CD1' HD11 ' A' ' 59' ' ' LEU . 17.9 mt -75.47 -6.28 49.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.485 -0.759 . . . . 0.0 110.594 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.11 152.67 24.81 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.28 -26.88 20.33 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 O-C-N 123.77 1.405 . . . . 0.0 110.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.09 -17.81 48.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.25 -0.906 . . . . 0.0 110.247 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.54 137.82 32.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.266 -0.896 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -116.49 172.97 6.87 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.974 HD13 HD23 ' A' ' 49' ' ' LEU . 82.5 mt -141.34 52.66 1.55 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.486 -0.758 . . . . 0.0 110.007 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -15.62 58.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.332 -0.855 . . . . 0.0 110.697 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.493 ' O ' HD23 ' A' ' 69' ' ' LEU . 9.7 mt -102.09 13.21 35.36 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.152 -0.968 . . . . 0.0 110.66 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.743 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 42.4 t80 -107.35 113.78 27.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.121 -0.987 . . . . 0.0 110.292 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 66' ' ' GLN . 1.3 m-20 -82.21 116.23 21.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.525 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -50.04 -58.1 6.22 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.361 -0.837 . . . . 0.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -59.11 -55.22 37.84 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.207 -0.933 . . . . 0.0 110.722 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 1.6 mm100 -59.28 -56.51 21.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.206 -0.934 . . . . 0.0 110.603 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.1 40.93 6.4 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.766 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pp -149.03 171.11 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.53 -0.983 . . . . 0.0 110.236 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 61' ' ' LEU . 5.3 mt . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.492 -0.755 . . . . 0.0 109.776 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.465 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 7.4 m95 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.22 0.533 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.0 mt -99.62 160.29 14.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -0.818 . . . . 0.0 109.85 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.33 177.69 0.25 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.98 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.42 87.62 4.84 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 109.82 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.659 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.8 Cg_endo -72.56 -6.87 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.921 1.485 . . . . 0.0 111.323 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.824 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -56.95 -19.49 18.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.173 -0.954 . . . . 0.0 110.919 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' CD2' HD11 ' A' ' 53' ' ' LEU . 1.3 mp -129.09 -66.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.167 -0.958 . . . . 0.0 110.799 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.97 -169.59 36.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.17 109.94 3.02 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.886 1.466 . . . . 0.0 110.767 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.795 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 144.57 -39.59 1.21 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.725 ' CH2' HD12 ' A' ' 49' ' ' LEU . 67.7 m95 -65.18 136.62 56.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.503 -0.998 . . . . 0.0 111.066 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -122.74 146.88 47.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.57 -0.707 . . . . 0.0 109.547 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -119.24 146.35 45.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.406 -0.809 . . . . 0.0 110.349 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 1.3 ttp-105 -139.96 135.23 32.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.503 -0.748 . . . . 0.0 109.687 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.58 125.71 45.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.311 -0.868 . . . . 0.0 110.249 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 34' ' ' TYR . 18.1 t -110.06 99.57 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.423 -0.798 . . . . 0.0 110.023 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -83.63 45.38 1.05 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.277 -0.889 . . . . 0.0 110.594 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 50.38 172.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.658 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -138.63 -33.02 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.129 -0.982 . . . . 0.0 110.683 179.729 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.7 p 164.83 -169.85 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.392 -0.817 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -93.24 0.96 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.21 12.94 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.782 -0.834 . . . . 0.0 109.789 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.481 HG22 ' NH2' ' A' ' 30' ' ' ARG . 18.0 p -139.23 11.82 2.58 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.53 -0.731 . . . . 0.0 109.594 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.57 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 3.6 t -51.34 130.07 26.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.45 -0.781 . . . . 0.0 111.284 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.43 -16.61 16.99 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.816 -1.183 . . . . 0.0 111.02 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.567 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 87.1 mtt180 -82.38 158.35 23.37 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.875 -1.368 . . . . 0.0 110.168 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 25.5 p -124.71 104.07 8.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.476 -0.765 . . . . 0.0 110.731 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.424 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 6.7 m-20 -103.98 126.58 51.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.86 . . . . 0.0 109.76 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.651 HG22 ' CE2' ' A' ' 35' ' ' TYR . 60.4 m -98.71 121.6 40.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 110.215 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CD1' HG21 ' A' ' 20' ' ' VAL . 65.7 m-85 -105.81 156.68 18.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.507 -0.745 . . . . 0.0 109.734 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.651 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -140.49 143.66 35.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.158 -0.964 . . . . 0.0 110.741 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 38.8 tt0 -107.22 149.09 28.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 109.171 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.551 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -51.49 -178.96 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.501 -0.749 . . . . 0.0 110.901 -179.585 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.795 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.2 Cg_endo -83.52 -9.72 10.06 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 O-C-N 123.739 1.389 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 t -166.68 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.665 -1.214 . . . . 0.0 112.497 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.52 84.56 0.1 Allowed Glycine 0 N--CA 1.497 2.741 0 C-N-CA 119.014 -1.565 . . . . 0.0 112.048 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.551 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.2 OUTLIER 172.8 121.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.523 -0.987 . . . . 0.0 109.105 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.769 ' O ' HD12 ' A' ' 43' ' ' ILE . 4.4 mmt180 -79.79 128.11 33.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.264 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 42' ' ' ARG . 1.2 mp -129.27 147.66 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.28 7.15 3.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.949 . . . . 0.0 110.994 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -169.94 -171.99 1.27 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.018 -1.051 . . . . 0.0 110.553 -179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' N ' ' OG ' ' A' ' 45' ' ' SER . 17.9 ttpt -73.84 -42.29 61.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.851 . . . . 0.0 108.746 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 37.9 t -59.55 -54.12 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -51.76 -38.9 57.36 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.302 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.725 HD12 ' CH2' ' A' ' 15' ' ' TRP . 12.1 tp -66.31 -47.47 73.47 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -61.97 -17.48 57.14 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.795 -0.566 . . . . 0.0 110.077 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -75.81 -60.15 2.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 4.4 t80 -60.42 -19.88 57.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.055 -1.028 . . . . 0.0 110.073 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 ' CD2' ' A' ' 11' ' ' LEU . 26.4 mt -96.09 -15.37 22.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 110.288 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.28 155.32 23.49 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.98 -31.01 15.77 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 O-C-N 123.781 1.411 . . . . 0.0 110.119 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.48 62.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 109.865 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.92 54.45 2.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.473 -0.767 . . . . 0.0 110.093 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.7 p-10 -51.94 171.18 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -0.851 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.648 ' CD1' HD23 ' A' ' 49' ' ' LEU . 97.3 mt -145.2 63.75 1.28 Allowed 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.567 -0.708 . . . . 0.0 109.814 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -13.35 61.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.525 -0.735 . . . . 0.0 110.834 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.52 -28.85 13.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.184 -0.947 . . . . 0.0 110.444 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.647 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 33.5 t80 -58.38 111.27 1.17 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.266 -0.896 . . . . 0.0 110.198 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.22 132.14 35.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -68.28 -28.57 67.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.377 -0.827 . . . . 0.0 110.474 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -90.17 -31.68 16.95 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -96.01 -42.58 8.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.139 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.824 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 65.1 67.11 2.15 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.659 HG22 ' HG2' ' A' ' 9' ' ' PRO . 4.4 pt -156.13 24.33 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.387 -1.067 . . . . 0.0 110.767 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 10' ' ' ALA . 2.7 mt . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.185 -0.947 . . . . 0.0 110.359 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.435 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 26.5 m95 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.266 0.555 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt -132.93 160.72 36.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.413 -0.804 . . . . 0.0 110.181 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -64.35 174.17 1.76 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.299 -0.876 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.3 t -150.2 87.11 5.03 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.399 -0.813 . . . . 0.0 109.852 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.0 Cg_endo -72.66 -6.32 18.81 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.893 1.47 . . . . 0.0 111.456 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.874 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -62.61 -13.25 29.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.122 -0.986 . . . . 0.0 110.977 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.653 HD13 ' CD2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -131.19 -66.38 0.74 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.067 . . . . 0.0 110.731 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.5 -166.51 35.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.49 105.94 2.15 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.799 1.421 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.835 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 145.81 -36.57 1.32 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.653 ' CD2' HD13 ' A' ' 11' ' ' LEU . 66.0 m95 -68.9 144.19 54.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.52 -0.988 . . . . 0.0 111.084 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 6.2 mptt -133.08 149.49 52.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.586 -0.696 . . . . 0.0 109.409 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HD3' ' HA3' ' A' ' 67' ' ' GLY . 29.0 ttp85 -131.97 138.65 48.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.847 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 4.9 tpt180 -137.21 140.32 41.65 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.49 144.8 28.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.5 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 34' ' ' TYR . 15.2 t -126.37 102.65 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.529 -0.732 . . . . 0.0 109.915 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -81.83 52.52 1.95 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.147 -0.971 . . . . 0.0 110.329 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 47.43 -179.14 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.782 0.801 . . . . 0.0 111.38 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.8 tmmt? -136.96 -40.14 0.6 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.536 -0.728 . . . . 0.0 109.679 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 165.28 -178.95 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.498 -0.751 . . . . 0.0 110.647 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 111.76 -95.33 0.8 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.62 -43.6 0.4 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.692 -0.887 . . . . 0.0 108.911 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.467 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 74.4 p -77.52 -0.76 27.41 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.933 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 47.0 t -44.51 141.24 2.03 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.43 -0.794 . . . . 0.0 111.515 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.99 -15.25 59.54 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.537 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.2 mpt_? -83.32 136.83 34.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.246 -1.149 . . . . 0.0 109.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 p -99.95 103.01 14.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.351 -0.843 . . . . 0.0 110.544 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.448 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.3 m-20 -99.67 120.51 39.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.639 HG22 ' CE2' ' A' ' 35' ' ' TYR . 91.4 m -98.86 125.94 44.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CD1' HG21 ' A' ' 20' ' ' VAL . 52.6 m-85 -107.21 157.0 18.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.567 -0.708 . . . . 0.0 109.626 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.639 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.6 OUTLIER -139.16 160.43 39.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.151 -0.968 . . . . 0.0 110.622 -179.105 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -124.5 144.99 49.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.76 . . . . 0.0 109.868 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 41' ' ' ASP . 4.8 p -51.89 178.24 0.05 OUTLIER Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.586 -0.697 . . . . 0.0 110.187 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.835 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.0 Cg_endo -83.93 -0.92 9.8 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.217 1.114 . . . . 0.0 111.493 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -167.22 19.24 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.296 -1.362 . . . . 0.0 113.195 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 140.56 86.43 0.11 Allowed Glycine 0 N--CA 1.5 2.905 0 C-N-CA 118.817 -1.659 . . . . 0.0 112.115 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.589 ' N ' ' OG ' ' A' ' 37' ' ' SER . 0.2 OUTLIER 169.66 135.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.636 -0.92 . . . . 0.0 109.458 178.502 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -95.08 110.89 22.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.858 . . . . 0.0 110.556 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.3 mp -101.7 139.41 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.348 -0.845 . . . . 0.0 109.323 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -120.4 -0.72 10.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 110.697 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.65 -156.92 0.18 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.11 -0.994 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.794 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.2 ttpt -80.09 -44.07 20.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.24 -0.912 . . . . 0.0 110.195 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.5 t -61.3 -44.2 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.327 -0.858 . . . . 0.0 110.096 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -56.53 -45.81 80.93 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.264 -0.898 . . . . 0.0 110.277 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.046 HD21 HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -75.86 -38.78 57.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.384 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.528 ' N ' HD23 ' A' ' 49' ' ' LEU . 53.5 m -59.31 -51.11 71.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -0.782 . . . . 0.0 110.111 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.248 -0.907 . . . . 0.0 110.527 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CE1' ' CG ' ' A' ' 41' ' ' ASP . 5.7 t80 -65.07 -24.65 67.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.8 -1.187 . . . . 0.0 109.614 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.499 ' CD1' HD11 ' A' ' 59' ' ' LEU . 18.4 mt -93.69 4.03 54.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.421 -0.799 . . . . 0.0 110.253 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.22 153.96 9.66 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.15 -28.38 23.43 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.813 1.428 . . . . 0.0 109.942 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.53 15.95 27.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.476 -0.765 . . . . 0.0 109.952 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -101.55 49.3 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.314 -0.866 . . . . 0.0 110.092 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.6 m-20 -57.38 168.57 0.75 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 0.0 110.272 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.046 HD12 HD21 ' A' ' 49' ' ' LEU . 92.3 mt -140.48 64.99 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.904 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -27.94 66.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.413 -0.805 . . . . 0.0 110.219 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.27 -31.0 43.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.607 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 18.7 t80 -65.15 116.94 7.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.237 -0.914 . . . . 0.0 109.864 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 0.9 OUTLIER -86.23 129.16 34.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 109.62 179.6 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.54 -61.72 2.41 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 110.329 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -57.24 13.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.234 -0.916 . . . . 0.0 110.797 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' HB3' ' CG1' ' A' ' 68' ' ' ILE . 31.2 mt-30 -61.99 -49.49 75.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 110.553 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 76.94 48.49 8.46 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.874 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -154.17 157.46 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.51 -0.994 . . . . 0.0 110.236 -179.651 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 69' ' ' LEU . 6.8 mt . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.381 -0.825 . . . . 0.0 109.608 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 3.3 m95 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.232 0.539 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -118.1 160.5 21.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.443 -0.786 . . . . 0.0 110.23 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -71.54 153.3 42.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.881 . . . . 0.0 110.674 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -131.35 80.64 67.33 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.596 -0.69 . . . . 0.0 109.303 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.99 -5.62 17.39 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 O-C-N 123.986 1.519 . . . . 0.0 112.049 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -53.52 -47.16 70.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.961 -1.087 . . . . 0.0 110.585 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.69 HD11 HD21 ' A' ' 49' ' ' LEU . 1.6 mp -94.05 -66.24 0.93 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.808 . . . . 0.0 110.521 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.02 -171.5 37.77 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.9 105.63 2.11 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.947 1.499 . . . . 0.0 110.793 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.784 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.28 -28.74 0.71 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.54 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 71.4 m95 -75.31 154.93 37.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.437 -1.037 . . . . 0.0 111.936 -178.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -140.3 154.14 46.7 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.229 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 8.8 ttp180 -123.54 140.79 52.64 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 110.82 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 5' ' ' TRP . 16.7 ttp180 -140.62 135.31 31.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.66 -0.65 . . . . 0.0 109.445 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.46 139.98 34.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 109.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.578 HG21 ' CD1' ' A' ' 34' ' ' TYR . 6.8 t -125.82 101.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.496 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 0.6 OUTLIER -85.74 48.53 1.61 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.587 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER 49.64 178.33 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.45 -0.781 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' SER . 16.9 ttpt -138.78 -35.58 0.57 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 110.108 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.5 t 161.37 -171.52 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.644 -0.66 . . . . 0.0 110.116 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.502 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.3 -61.96 0.31 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 25' ' ' GLY . . . -178.89 -39.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.568 -0.96 . . . . 0.0 108.565 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.423 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 22.1 p -82.72 3.31 29.7 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.171 0.51 . . . . 0.0 109.67 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.2 t -45.32 136.1 5.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.725 . . . . 0.0 111.773 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.85 -19.1 28.48 Favored Glycine 0 N--CA 1.495 2.583 0 C-N-CA 120.046 -1.074 . . . . 0.0 110.967 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.525 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 11.4 mtp180 -78.68 146.19 34.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.94 -1.33 . . . . 0.0 110.448 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 90.1 p -118.46 98.3 6.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.421 -0.799 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -105.25 135.53 46.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 110.149 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.412 HG21 ' OH ' ' A' ' 35' ' ' TYR . 1.9 m -99.47 127.51 45.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 110.026 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.578 ' CD1' HG21 ' A' ' 20' ' ' VAL . 28.2 m-85 -109.79 136.39 49.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.531 -0.731 . . . . 0.0 109.489 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 30.5 m-85 -121.79 145.11 48.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.237 -0.914 . . . . 0.0 110.667 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 15' ' ' TRP . 24.8 tt0 -99.91 141.83 32.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 108.799 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.514 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 5.1 p -55.19 -174.66 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.488 -0.757 . . . . 0.0 110.185 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.784 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.3 Cg_endo -81.36 -14.9 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.409 1.215 . . . . 0.0 110.993 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.42 44.19 0.06 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.493 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 121.62 92.66 1.21 Allowed Glycine 0 N--CA 1.497 2.753 0 C-N-CA 119.583 -1.294 . . . . 0.0 112.104 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER 154.79 131.55 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -100.26 129.36 46.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 0.0 110.786 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 48' ' ' GLU . 1.2 mp -111.61 155.48 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.505 -0.747 . . . . 0.0 109.444 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -143.21 11.36 1.74 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.373 -0.829 . . . . 0.0 110.52 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -172.35 -168.5 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.033 -1.042 . . . . 0.0 110.541 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -75.65 -46.84 29.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 55.5 t -56.91 -49.24 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.569 -0.707 . . . . 0.0 109.3 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -51.32 -52.57 44.11 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.624 -0.672 . . . . 0.0 109.938 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.797 HD23 ' CD1' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -59.86 -42.97 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 108.955 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -61.66 -18.04 57.91 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.706 -0.622 . . . . 0.0 110.24 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.491 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt-85 -78.02 -61.63 1.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 11.4 t80 -54.26 -24.69 19.72 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.25 -0.906 . . . . 0.0 110.148 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.955 ' CD1' HD11 ' A' ' 59' ' ' LEU . 30.1 mt -86.46 -19.53 29.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.407 -0.808 . . . . 0.0 110.238 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.46 156.49 13.86 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.4 -19.94 32.42 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 O-C-N 123.843 1.443 . . . . 0.0 110.402 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.23 26.67 5.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 0.0 110.008 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.82 79.03 1.77 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.788 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -77.03 165.7 24.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.117 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.955 HD11 ' CD1' ' A' ' 53' ' ' LEU . 39.7 mt -138.12 59.87 1.64 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.848 . . . . 0.0 110.041 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -19.18 36.35 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.676 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.458 ' C ' HD23 ' A' ' 69' ' ' LEU . 12.2 mt -97.08 7.62 46.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.181 -0.949 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.457 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 66.1 t80 -102.25 119.08 38.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.054 -1.029 . . . . 0.0 110.23 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.13 133.56 36.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.399 -0.813 . . . . 0.0 110.115 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 45' ' ' SER . 5.1 t80 -65.65 -28.94 69.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.424 -0.798 . . . . 0.0 110.293 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 -54.92 3.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 0.0 110.589 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.67 -53.35 59.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.266 -0.896 . . . . 0.0 110.462 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.413 ' HA2' ' CZ ' ' A' ' 62' ' ' PHE . . . 88.78 25.16 30.57 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.917 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.3 pp -134.45 155.1 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.367 -1.078 . . . . 0.0 110.247 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 10' ' ' ALA . 8.3 mt . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.462 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 43.8 m95 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.206 0.527 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -102.35 160.68 14.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.124 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.98 -173.95 0.42 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.334 -0.854 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -153.91 90.73 3.28 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.462 -0.774 . . . . 0.0 109.809 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.5 Cg_endo -75.51 0.9 8.58 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.835 1.439 . . . . 0.0 111.666 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -74.78 -3.85 34.15 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.005 -1.06 . . . . 0.0 111.26 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.581 ' CD2' HD11 ' A' ' 49' ' ' LEU . 4.3 mt -137.16 -61.53 0.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 110.553 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.21 -177.1 47.84 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.84 96.45 0.85 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.919 1.484 . . . . 0.0 110.48 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.83 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 161.76 -30.51 0.31 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.695 ' CH2' HD13 ' A' ' 49' ' ' LEU . 63.3 m95 -75.63 151.13 37.83 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.457 -1.025 . . . . 0.0 111.87 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 2.0 mmmm -137.03 129.92 30.61 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 20.1 ttp85 -109.14 138.35 45.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.222 -0.924 . . . . 0.0 110.926 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.1 tpt180 -140.32 137.55 34.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.675 -0.641 . . . . 0.0 109.435 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.59 133.0 44.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.229 -0.919 . . . . 0.0 110.25 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 31' ' ' SER . 15.6 t -111.35 104.71 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.562 -0.711 . . . . 0.0 109.974 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.9 t80 -84.68 45.86 1.19 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.11 -0.994 . . . . 0.0 110.516 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.632 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 49.9 173.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.431 -0.793 . . . . 0.0 110.905 179.772 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER -142.18 -34.31 0.46 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.037 -1.04 . . . . 0.0 110.827 179.752 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.514 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 14.5 t 172.73 -169.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.234 -0.916 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.464 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 102.39 -74.11 0.32 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.05 -39.18 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.447 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 22.1 p -80.24 0.27 33.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.582 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.632 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 13.3 t -44.32 132.67 5.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.556 -0.715 . . . . 0.0 111.563 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.75 -14.82 26.82 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.924 -1.131 . . . . 0.0 110.841 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 2.8 mtt-85 -83.08 175.39 10.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.956 -1.32 . . . . 0.0 110.43 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 94.6 p -137.37 95.65 3.12 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.625 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.9 m-20 -100.99 124.8 47.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.462 -0.774 . . . . 0.0 109.94 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.59 HG22 ' CE2' ' A' ' 35' ' ' TYR . 81.2 m -98.37 128.81 44.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.325 -0.859 . . . . 0.0 110.237 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 44.0 m-85 -111.11 158.35 18.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.507 -0.746 . . . . 0.0 109.822 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CE2' HG22 ' A' ' 33' ' ' THR . 1.2 m-85 -140.18 140.05 35.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 110.729 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 5.3 tp60 -99.35 143.13 29.95 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.495 ' OG ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -52.1 -176.43 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.483 -0.761 . . . . 0.0 111.199 -179.12 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.83 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.5 Cg_endo -81.68 -18.79 7.81 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.578 1.304 . . . . 0.0 110.494 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -156.04 9.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 118.581 -1.248 . . . . 0.0 112.646 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.3 83.94 0.04 OUTLIER Glycine 0 N--CA 1.495 2.611 0 C-N-CA 118.697 -1.716 . . . . 0.0 112.021 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' OD2' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 174.14 116.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.482 -1.011 . . . . 0.0 109.47 177.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -79.75 118.78 21.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.327 -0.858 . . . . 0.0 110.918 -179.282 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 42' ' ' ARG . 1.3 mp -119.49 149.19 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.496 -0.753 . . . . 0.0 109.314 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.38 0.28 5.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 110.611 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -158.76 -170.5 3.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.027 -1.046 . . . . 0.0 110.74 -179.508 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' N ' ' OG ' ' A' ' 45' ' ' SER . 4.5 ttpt -77.51 -39.05 47.56 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.522 -0.736 . . . . 0.0 109.04 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.76 -48.62 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -0.774 . . . . 0.0 109.216 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.524 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -54.34 -39.98 67.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.409 -0.807 . . . . 0.0 109.132 179.168 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.695 HD13 ' CH2' ' A' ' 15' ' ' TRP . 15.5 tp -68.35 -44.95 74.15 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.3 m -59.88 -23.21 63.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.663 -0.648 . . . . 0.0 109.764 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -71.65 -58.59 3.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.354 -0.841 . . . . 0.0 110.527 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.495 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 2.8 t80 -57.01 -21.59 31.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 0.0 110.396 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.642 HD11 HD11 ' A' ' 49' ' ' LEU . 39.3 mt -92.07 -13.12 31.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.279 -0.888 . . . . 0.0 110.782 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.31 152.87 8.73 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.0 -20.3 38.59 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 O-C-N 123.707 1.372 . . . . 0.0 110.453 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.47 8.93 37.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.1 m -104.05 61.84 0.74 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.324 -0.86 . . . . 0.0 110.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 168.04 4.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.209 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 53' ' ' LEU . 95.1 mt -141.79 63.49 1.42 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.469 -0.769 . . . . 0.0 110.036 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -18.18 63.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 0.0 110.403 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.87 -27.04 21.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.225 -0.922 . . . . 0.0 110.361 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.422 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 20.0 t80 -67.34 122.01 16.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -85.68 137.83 32.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.368 -0.832 . . . . 0.0 109.84 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -76.76 -67.02 0.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.303 -0.873 . . . . 0.0 110.433 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -58.51 -21.96 53.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.322 -0.861 . . . . 0.0 110.75 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.535 ' OE1' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -100.61 -51.59 3.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.124 -0.985 . . . . 0.0 110.432 -179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 79.78 62.9 2.07 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.802 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -160.32 144.71 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.329 -1.101 . . . . 0.0 110.242 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 69' ' ' LEU . 10.8 mt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.44 -0.788 . . . . 0.0 109.784 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CZ2' ' HD3' ' A' ' 18' ' ' ARG . 61.3 m95 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.13 0.49 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -116.63 160.27 20.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.357 -0.839 . . . . 0.0 110.107 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.23 167.2 0.69 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 110.166 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -147.97 85.85 6.34 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 110.417 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.1 Cg_endo -73.13 -6.99 19.91 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.84 1.442 . . . . 0.0 111.124 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.804 ' HB1' ' HD1' ' A' ' 62' ' ' PHE . . . -61.87 -12.66 18.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.295 -0.878 . . . . 0.0 110.97 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -128.42 -68.38 0.76 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 110.457 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.1 -169.72 39.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.8 95.34 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.856 1.451 . . . . 0.0 110.94 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.786 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.19 -29.82 0.72 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.906 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 77.8 m95 -73.4 154.26 40.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.629 -0.924 . . . . 0.0 111.773 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -137.25 160.01 40.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 56.3 ttp180 -129.2 141.39 51.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.149 -0.969 . . . . 0.0 110.934 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HD3' ' CZ2' ' A' ' 5' ' ' TRP . 2.4 ttp-105 -138.34 134.44 34.23 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.48 135.99 40.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 0.0 110.522 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 34' ' ' TYR . 25.4 t -122.08 95.72 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.512 -0.743 . . . . 0.0 109.788 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' A' ' 22' ' ' ARG . 4.3 t80 -83.92 44.62 1.01 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.13 -0.981 . . . . 0.0 110.78 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.629 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER 50.92 162.82 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.471 -0.768 . . . . 0.0 111.386 179.544 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -129.85 -31.54 1.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.142 -0.974 . . . . 0.0 110.642 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.509 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 164.99 -167.92 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.358 -0.839 . . . . 0.0 110.906 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.79 -68.34 0.33 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -174.32 -40.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.636 -0.92 . . . . 0.0 108.631 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.44 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 25.2 p -78.42 1.09 23.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.211 0.529 . . . . 0.0 109.769 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -41.83 135.13 2.4 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.641 -0.662 . . . . 0.0 112.023 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.12 -16.35 35.81 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.907 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 61.4 mtt180 -82.21 153.93 25.69 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.954 -1.321 . . . . 0.0 110.184 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 80.2 p -121.57 101.18 7.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.429 -0.795 . . . . 0.0 110.516 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.2 m-20 -101.06 125.08 47.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.443 -0.785 . . . . 0.0 109.938 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.662 HG22 ' CE2' ' A' ' 35' ' ' TYR . 88.7 m -99.41 120.79 40.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.253 -0.904 . . . . 0.0 109.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD2' ' HB3' ' A' ' 44' ' ' ARG . 65.9 m-85 -104.87 142.88 33.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.996 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.662 ' CE2' HG22 ' A' ' 33' ' ' THR . 1.5 m-85 -126.72 146.9 50.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.312 -0.867 . . . . 0.0 110.291 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -102.5 146.61 27.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 0.0 108.965 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 3.4 p -56.54 -173.15 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.462 -0.774 . . . . 0.0 110.048 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.786 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.0 Cg_endo -82.19 -10.37 11.3 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.272 1.143 . . . . 0.0 111.268 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 t -168.06 20.18 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 0.0 112.959 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.78 86.61 0.08 OUTLIER Glycine 0 N--CA 1.497 2.719 0 C-N-CA 118.821 -1.657 . . . . 0.0 112.153 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.0 OUTLIER 163.54 113.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.779 -0.836 . . . . 0.0 109.044 178.197 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 145.81 30.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.371 -0.831 . . . . 0.0 110.951 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.966 HG21 HD12 ' A' ' 49' ' ' LEU . 3.0 mt -140.56 153.47 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.597 -0.69 . . . . 0.0 109.508 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.53 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -131.34 0.47 4.09 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.156 -0.965 . . . . 0.0 111.512 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -158.98 -167.41 2.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.765 -1.209 . . . . 0.0 110.985 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -51.37 13.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.481 -0.762 . . . . 0.0 110.096 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.441 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 3.3 t -52.09 -48.23 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.305 -0.872 . . . . 0.0 109.242 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.874 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -51.09 -43.68 61.11 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.654 0.74 . . . . 0.0 109.222 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.966 HD12 HG21 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -64.73 -40.21 94.95 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.825 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -67.06 -16.22 64.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.677 -0.639 . . . . 0.0 110.308 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.5 mtp180 -80.02 -62.54 1.65 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.22 -0.925 . . . . 0.0 110.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 2.9 t80 -58.03 -21.81 46.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.39 -0.819 . . . . 0.0 110.223 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 59' ' ' LEU . 67.8 mt -92.56 -17.92 23.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.275 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.3 153.33 13.81 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 -29.15 17.17 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.807 1.425 . . . . 0.0 110.205 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.48 -18.3 52.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.112 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.4 m -91.39 86.81 6.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.86 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.59 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.24 174.02 10.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.228 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.744 HD13 HD23 ' A' ' 49' ' ' LEU . 88.9 mt -139.89 52.68 1.69 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.4 -0.812 . . . . 0.0 109.779 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -23.35 27.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.812 . . . . 0.0 110.585 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CB ' HD23 ' A' ' 69' ' ' LEU . 6.9 mt -85.64 -37.35 19.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.272 -0.892 . . . . 0.0 110.355 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.804 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 71.2 t80 -55.33 127.31 28.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.27 -0.894 . . . . 0.0 109.757 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -102.87 9.58 38.81 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.253 -0.905 . . . . 0.0 111.757 -179.046 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 24.1 t80 54.51 -85.86 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.155 -0.966 . . . . 0.0 110.853 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -48.59 -31.11 6.12 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.208 -0.933 . . . . 0.0 110.979 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.543 ' OE1' HD11 ' A' ' 68' ' ' ILE . 45.9 mt-30 -84.87 -28.93 25.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 0.0 109.991 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.578 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 63.45 39.48 97.75 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.74 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -155.16 160.6 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.591 -0.946 . . . . 0.0 110.149 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 61' ' ' LEU . 5.6 mt . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.526 -0.734 . . . . 0.0 110.136 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.167 0.508 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.09 160.49 27.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.815 . . . . 0.0 110.239 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.78 176.74 0.49 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.307 -0.871 . . . . 0.0 110.232 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.8 t -155.97 93.36 2.54 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.9 Cg_endo -77.92 6.72 4.38 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.84 1.442 . . . . 0.0 111.675 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -67.66 -9.52 44.06 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.012 -1.055 . . . . 0.0 111.107 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.071 HD11 HD21 ' A' ' 49' ' ' LEU . 1.2 mt -135.79 -61.89 0.7 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.951 -1.093 . . . . 0.0 110.469 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.08 -165.2 31.52 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.32 128.42 12.84 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.857 1.451 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.732 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 117.28 -39.47 2.64 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.779 ' CD2' HD13 ' A' ' 11' ' ' LEU . 61.8 m95 -57.41 140.22 50.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.47 -1.018 . . . . 0.0 111.227 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -134.57 152.38 51.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 179.416 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -140.14 140.11 35.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.157 -0.964 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 33' ' ' THR . 10.4 tpt180 -140.49 146.34 38.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.581 -0.699 . . . . 0.0 109.469 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.68 127.74 45.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.274 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' SER . 12.2 t -105.47 104.55 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 109.822 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.47 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -83.26 45.75 1.06 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 110.558 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 50.63 171.03 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.332 -0.855 . . . . 0.0 111.143 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.4 OUTLIER -135.01 -36.36 0.82 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 110.562 179.639 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.483 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 13.0 t 172.76 -171.42 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.295 -0.878 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.469 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 103.25 -94.57 1.13 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.16 -44.62 0.2 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.437 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 41.2 p -72.32 -5.14 34.11 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.837 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.7 p -41.88 137.65 1.71 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.582 -0.699 . . . . 0.0 111.696 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.26 -15.59 39.13 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.684 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 69.1 mtt180 -83.48 165.99 18.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.021 -1.282 . . . . 0.0 110.367 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 7.4 p -129.79 96.23 4.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -99.77 126.09 45.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.813 . . . . 0.0 110.024 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.573 HG22 ' CE2' ' A' ' 35' ' ' TYR . 95.2 m -98.31 124.55 43.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 0.0 109.858 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 49.6 m-85 -108.72 152.75 24.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.541 -0.724 . . . . 0.0 109.886 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.573 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -139.95 144.04 36.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.955 . . . . 0.0 110.4 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 37' ' ' SER . 1.8 tt0 -108.1 150.05 27.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.775 . . . . 0.0 109.515 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 41' ' ' ASP . 20.0 p -54.47 -177.8 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.513 -0.742 . . . . 0.0 110.225 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.732 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 52.0 Cg_endo -84.58 -2.79 9.91 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.453 1.238 . . . . 0.0 112.194 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -166.76 19.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.092 -1.443 . . . . 0.0 113.274 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 139.53 82.16 0.08 OUTLIER Glycine 0 N--CA 1.497 2.715 0 C-N-CA 118.792 -1.671 . . . . 0.0 112.124 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.507 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 170.11 108.62 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.596 -0.943 . . . . 0.0 109.061 178.086 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 128.9 33.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 110.858 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.052 HG21 HD12 ' A' ' 49' ' ' LEU . 17.4 mt -128.97 150.47 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.607 -0.683 . . . . 0.0 109.381 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -126.94 -6.9 6.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.235 -0.916 . . . . 0.0 111.177 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -151.22 -164.37 1.99 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.962 -1.086 . . . . 0.0 110.237 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -80.08 -46.72 16.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.145 -0.972 . . . . 0.0 110.142 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 t -54.28 -48.53 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 108.703 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.89 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.4 mm-40 -53.28 -36.36 61.08 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.071 HD21 HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.31 -51.13 48.16 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.133 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.0 m -56.64 -21.21 25.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.907 -0.496 . . . . 0.0 110.198 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.2 mmm180 -74.1 -58.55 3.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.219 -0.925 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 3.7 t80 -68.09 -10.81 56.83 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.227 -0.92 . . . . 0.0 110.532 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 59' ' ' LEU . 41.5 mt -103.15 -21.12 13.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.155 -0.966 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.8 151.05 8.39 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -21.34 35.33 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 O-C-N 123.711 1.374 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.32 -9.27 33.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 0.0 110.26 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.3 t -84.42 64.36 8.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.205 -0.935 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.689 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -59.16 154.63 15.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.263 -0.898 . . . . 0.0 110.213 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 58' ' ' ASP . 74.2 mt -140.15 57.27 1.6 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.359 -0.838 . . . . 0.0 110.067 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -15.79 62.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 0.0 110.23 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' HB2' HD23 ' A' ' 69' ' ' LEU . 2.6 mt -88.43 -26.68 22.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.305 -0.872 . . . . 0.0 110.161 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.545 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 31.1 t80 -64.94 115.43 5.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.251 -0.905 . . . . 0.0 109.714 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -79.91 120.92 24.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.207 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' A' ' 35' ' ' TYR . 16.4 t80 -62.97 -23.02 67.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -90.67 -31.02 16.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.167 -0.958 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.466 ' HB3' HD11 ' A' ' 68' ' ' ILE . 49.8 mt-30 -109.21 -47.55 3.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.094 -1.004 . . . . 0.0 110.13 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.822 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 70.73 71.92 0.96 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.528 ' N ' ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -151.67 12.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.317 -1.108 . . . . 0.0 111.486 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.8 mt . . . . . 0 N--CA 1.499 1.98 0 O-C-N 121.025 -1.047 . . . . 0.0 110.171 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.27 0.557 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.68 80.06 0.1 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.322 -0.861 . . . . 0.0 110.431 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.5 -61.88 1.61 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.34 -0.85 . . . . 0.0 110.196 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.39 92.1 0.24 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.399 -0.813 . . . . 0.0 110.171 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.439 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 19.0 m95 -94.38 113.03 24.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 110.275 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -111.42 154.2 25.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.014 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -58.07 170.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.273 -0.892 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.4 t -150.15 87.75 4.91 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.65 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -71.14 -5.26 16.6 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.983 1.517 . . . . 0.0 111.579 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.857 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -58.82 -14.78 9.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 110.898 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 49' ' ' LEU . 3.3 mp -127.32 -68.95 0.77 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.021 -1.05 . . . . 0.0 110.398 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.96 -166.22 32.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.78 138.69 26.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.803 1.423 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.748 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 109.25 -35.09 5.13 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.809 ' CE2' HD22 ' A' ' 11' ' ' LEU . 36.9 m95 -62.4 145.92 52.72 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.349 -1.089 . . . . 0.0 111.418 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -139.53 132.53 29.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.667 -0.645 . . . . 0.0 109.598 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -115.21 152.94 31.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.263 -0.898 . . . . 0.0 110.522 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 33' ' ' THR . 11.7 ttp180 -140.03 160.15 40.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.854 . . . . 0.0 110.229 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.96 143.14 45.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 109.922 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 34' ' ' TYR . 25.3 t -132.34 101.55 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.208 -0.932 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' ARG . 3.2 t80 -84.7 50.04 1.83 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.259 -0.901 . . . . 0.0 110.217 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.579 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 48.59 -179.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.707 0.765 . . . . 0.0 111.07 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' N ' ' OP1' ' B' ' 106' ' ' 5CM . 2.4 tmmt? -139.17 -38.4 0.49 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.528 -0.732 . . . . 0.0 109.923 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.471 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 0.6 OUTLIER 167.7 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.441 -0.787 . . . . 0.0 110.764 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.57 -91.1 1.01 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.81 -41.92 0.17 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.948 0.88 . . . . 0.0 109.057 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.509 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 42.4 p -77.8 -0.16 26.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.865 -0.522 . . . . 0.0 110.036 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 38.0 t -45.06 138.78 3.55 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 111.731 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 -14.08 49.94 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.497 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.473 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 97.8 mtt180 -87.41 150.0 24.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.047 -1.267 . . . . 0.0 110.207 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 53.6 p -110.97 118.06 35.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 110.485 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -116.16 127.92 55.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.436 -0.79 . . . . 0.0 110.055 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 18' ' ' ARG . 11.3 m -99.77 124.3 44.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 110.409 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CD1' HG21 ' A' ' 20' ' ' VAL . 86.3 m-85 -113.49 142.64 45.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.443 -0.786 . . . . 0.0 109.402 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -139.74 139.85 36.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.056 -1.028 . . . . 0.0 110.63 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 45.3 tt0 -99.62 152.43 20.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.425 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.487 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -54.15 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.586 -0.696 . . . . 0.0 110.493 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.748 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.3 Cg_endo -86.05 -9.22 7.51 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.481 1.253 . . . . 0.0 111.225 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -161.09 14.9 0.1 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.808 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.49 80.98 0.04 OUTLIER Glycine 0 N--CA 1.495 2.591 0 C-N-CA 118.723 -1.703 . . . . 0.0 112.227 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.74 128.79 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.486 -1.008 . . . . 0.0 109.628 177.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.556 ' C ' HD12 ' A' ' 43' ' ' ILE . 6.9 tpt180 -97.85 105.37 17.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.219 -0.925 . . . . 0.0 110.568 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.918 HG21 HD12 ' A' ' 49' ' ' LEU . 1.3 mp -106.21 135.55 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.331 -0.856 . . . . 0.0 109.322 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 0.1 OUTLIER -111.46 -3.34 15.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.867 -179.551 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 1.103 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -154.97 -165.19 1.97 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -179.463 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' N ' ' OG ' ' A' ' 45' ' ' SER . 8.4 ttpt -78.95 -42.8 26.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.514 -0.741 . . . . 0.0 109.086 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG23 H5'' ' C' ' 117' ' ' ' DC' . 25.1 t -56.58 -54.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 0.0 108.729 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.69 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.57 -39.02 48.37 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.616 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -67.98 -42.71 80.4 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.8 m -65.79 -15.77 63.18 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.745 -0.597 . . . . 0.0 109.882 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.534 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 15.1 mmt180 -77.77 -62.37 1.69 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.867 . . . . 0.0 110.185 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.455 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -58.44 -21.93 52.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 110.251 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 59' ' ' LEU . 43.1 mt -94.56 -15.84 23.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.49 153.35 18.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.32 -29.7 20.8 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 123.7 1.369 . . . . 0.0 110.199 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.23 -21.61 58.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.416 -0.803 . . . . 0.0 109.98 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.57 66.33 7.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -59.49 166.25 2.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.937 HD13 HD23 ' A' ' 49' ' ' LEU . 88.6 mt -139.48 64.6 1.46 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.37 -0.831 . . . . 0.0 110.046 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 -20.99 60.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.321 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.678 HD22 ' HB3' ' A' ' 71' ' ' TYR . 16.0 mt -95.1 13.5 25.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.253 -0.904 . . . . 0.0 110.671 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.632 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 43.2 t80 -98.45 130.1 45.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 110.054 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.19 120.33 29.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.47 -0.769 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.75 -26.27 61.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.004 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.13 -12.07 39.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.0 110.926 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -123.07 -40.51 2.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.119 -0.988 . . . . 0.0 110.632 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 82.5 56.59 2.78 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.857 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 2.8 pt -154.62 150.55 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.424 -1.045 . . . . 0.0 110.496 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 61' ' ' LEU . 10.4 mt -93.3 83.43 4.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.504 -0.748 . . . . 0.0 109.589 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.13 -45.43 5.45 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.594 -0.691 . . . . 0.0 111.221 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.678 ' HB3' HD22 ' A' ' 61' ' ' LEU . 2.3 t80 -125.15 131.16 24.02 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 0.0 110.208 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -73.33 -83.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.33 0 O-C-N 123.551 1.29 . . . . 0.0 110.633 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.0 154.42 72.55 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.058 -1.026 . . . . 0.0 110.231 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -73.22 -78.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 123.699 1.368 . . . . 0.0 110.771 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.8 tttt . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.225 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.481 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.726 0 O4'-C1'-N19 110.932 3.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.834 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.913 0 O4'-C1'-N19 110.475 3.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.834 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.801 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.801 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.736 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.859 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.834 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.823 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.873 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.723 1 O4'-C1'-N19 111.125 4.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.892 0 O4'-C1'-N19 110.646 3.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.868 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.046 0 O4'-C1'-N19 110.724 3.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.868 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.794 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.711 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.458 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.707 0 O4'-C1'-N19 110.847 3.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.836 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.938 0 O4'-C1'-N19 110.524 3.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.836 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.799 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.601 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.735 0 O4'-C1'-N19 110.884 3.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 1.103 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 P--O5' 1.611 1.756 1 O4'-C1'-N19 111.073 4.091 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.865 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.865 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.443 1.753 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.901 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.73 0 O4'-C1'-N19 110.886 3.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.901 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.805 0 O4'-C1'-N19 110.769 3.711 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.912 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.091 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.912 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.857 1 O4'-C1'-N19 111.031 4.038 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.465 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptm . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.229 0.538 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.25 114.11 4.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.4 -0.813 . . . . 0.0 110.206 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -53.7 -27.09 25.98 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.394 -0.816 . . . . 0.0 110.534 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 t70 62.38 120.64 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.319 -0.863 . . . . 0.0 110.306 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -79.56 131.5 36.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 0.0 110.098 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -107.69 160.53 15.64 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.471 -0.768 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.92 158.66 32.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 46.1 t -136.84 82.97 30.3 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.85 -5.36 16.72 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 O-C-N 124.115 1.587 . . . . 0.0 112.513 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.962 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -55.38 -53.66 53.46 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.778 -1.201 . . . . 0.0 110.184 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.044 HD11 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -81.9 -67.96 0.74 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.359 -0.838 . . . . 0.0 110.772 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.52 -159.81 23.16 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.253 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' O ' ' HB3' ' A' ' 38' ' ' PRO . 47.9 Cg_endo -73.66 136.99 24.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.973 1.512 . . . . 0.0 111.112 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.746 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 105.29 -34.58 5.68 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.96 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 41.8 m95 -60.16 143.12 53.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.542 -0.975 . . . . 0.0 111.05 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.03 148.2 41.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.464 -0.773 . . . . 0.0 109.66 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.93 147.5 52.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.902 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -135.08 147.23 49.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.478 -0.764 . . . . 0.0 109.624 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.9 146.14 27.73 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.918 . . . . 0.0 110.37 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG21 ' CD1' ' A' ' 34' ' ' TYR . 22.0 t -132.31 96.15 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.817 . . . . 0.0 110.017 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 -83.05 45.32 1.0 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.367 -0.833 . . . . 0.0 110.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.75 168.31 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 111.083 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' SER . 3.1 tppt? -134.79 -30.81 1.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.0 110.338 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 164.28 -165.86 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.413 -0.804 . . . . 0.0 110.788 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.46 -66.51 0.46 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -176.38 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.631 -0.923 . . . . 0.0 108.554 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.59 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 18.1 p -78.45 -1.48 33.83 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.5 t -39.64 131.32 1.78 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.659 -0.65 . . . . 0.0 111.793 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.68 -15.97 23.97 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 120.123 -1.037 . . . . 0.0 110.681 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 31.6 mtt180 -83.76 151.74 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.998 -1.295 . . . . 0.0 110.566 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 49.2 p -119.38 106.31 12.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.34 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 45.7 m-20 -109.31 127.65 54.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.473 -0.767 . . . . 0.0 110.193 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.436 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 6.6 m -99.23 121.93 41.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.434 -0.791 . . . . 0.0 110.034 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.543 ' CD1' HG21 ' A' ' 20' ' ' VAL . 45.6 m-85 -106.42 144.97 32.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -135.56 160.07 39.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.153 -0.967 . . . . 0.0 110.473 -179.585 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -125.87 148.94 49.03 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.521 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -53.47 -175.58 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.63 -0.669 . . . . 0.0 109.309 179.399 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.746 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 43.2 Cg_endo -75.6 -13.22 20.27 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 N-CA-C 109.538 -0.985 . . . . 0.0 109.538 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 38' ' ' PRO . 13.2 t -179.2 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.01 -115.6 2.42 Favored Glycine 0 N--CA 1.489 2.194 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.047 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -116.69 -153.32 0.52 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.592 -0.946 . . . . 0.0 110.464 -178.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.03 116.17 31.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 110.906 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.878 HG21 HD12 ' A' ' 49' ' ' LEU . 23.2 mt -99.54 155.16 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' CB ' H5A3 ' C' ' 118' ' ' 5CM . 0.8 OUTLIER -124.21 -10.46 7.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.106 -0.996 . . . . 0.0 111.562 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.496 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 1.5 m -152.63 -166.08 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.781 -1.2 . . . . 0.0 111.021 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 14.7 ttpt -77.21 -47.53 19.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.586 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 6.2 t -54.29 -52.7 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 108.779 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.859 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.0 mt-10 -53.18 -32.94 50.46 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.044 HD21 HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.18 -48.68 41.42 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.171 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.1 m -59.03 -21.12 58.58 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.763 -0.586 . . . . 0.0 109.697 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -73.48 -59.53 2.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.41 -0.806 . . . . 0.0 110.023 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 6.8 t80 -59.73 -24.57 64.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.339 -0.851 . . . . 0.0 110.17 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.643 ' CD1' HD11 ' A' ' 59' ' ' LEU . 68.5 mt -86.36 -21.45 27.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.04 156.69 14.37 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -16.47 33.34 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.826 1.435 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.01 14.76 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.47 63.72 0.96 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -51.32 174.3 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.462 -0.774 . . . . 0.0 110.747 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.676 ' CD1' HD23 ' A' ' 49' ' ' LEU . 32.7 mt -151.78 62.77 0.86 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.562 -0.711 . . . . 0.0 109.674 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -76.97 -0.08 23.05 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.357 -0.839 . . . . 0.0 111.203 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.88 -26.16 11.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.013 -1.054 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.463 ' CE2' ' HA ' ' A' ' 64' ' ' PHE . 39.1 t80 -59.77 123.06 15.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.174 -0.954 . . . . 0.0 109.488 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' LYS . 7.3 m-20 -85.15 7.99 19.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.359 -0.838 . . . . 0.0 111.7 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.463 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 64.3 t80 57.43 -76.91 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.289 -0.882 . . . . 0.0 110.743 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -57.23 -53.8 54.0 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.125 -0.984 . . . . 0.0 110.834 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.501 ' HB3' HD11 ' A' ' 68' ' ' ILE . 72.2 mm-40 -63.55 -32.9 74.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 110.522 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 69.67 45.48 58.62 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.828 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -153.14 157.43 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.386 -1.067 . . . . 0.0 110.445 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.962 HD12 ' O ' ' A' ' 10' ' ' ALA . 9.1 mt -105.23 86.89 2.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.481 -0.762 . . . . 0.0 109.59 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.83 82.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.475 -0.766 . . . . 0.0 110.625 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 69' ' ' LEU . 72.8 t80 -129.93 75.26 79.76 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.446 -0.784 . . . . 0.0 109.826 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -71.35 -80.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.776 1.408 . . . . 0.0 110.799 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.21 154.63 50.13 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.089 -1.007 . . . . 0.0 110.294 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.1 -33.09 7.84 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 O-C-N 123.807 1.425 . . . . 0.0 110.368 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mttp . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.114 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.506 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.821 0 O4'-C1'-N19 110.759 3.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.872 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.872 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.779 0 O4'-C1'-N19 110.961 3.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.813 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.887 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.813 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.642 1 O4'-C1'-N19 111.032 4.04 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.856 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.795 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.819 1 O4'-C1'-N19 111.221 4.277 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.892 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C1'-N19 111.14 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.892 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.855 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C1'-N19 110.826 3.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.855 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.866 1 O4'-C1'-N19 111.062 4.078 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.462 ' C6 ' H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.723 0 O4'-C1'-N19 110.947 3.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.505 " H2'" ' H72' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.778 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.869 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.742 0 O4'-C1'-N19 110.965 3.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.576 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.951 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.716 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.769 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.832 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.832 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 2.012 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.869 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.787 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.907 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.443 1.791 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.907 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.823 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.439 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.524 1.678 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.247 0.546 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.577 ' HB1' ' OP1' ' B' ' 104' ' ' ' DT' . . . -146.44 55.5 1.15 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.257 -0.902 . . . . 0.0 110.365 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.08 20.74 4.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.446 -0.784 . . . . 0.0 110.763 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.43 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 4.5 t0 62.03 92.82 0.05 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.222 -0.924 . . . . 0.0 110.949 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.461 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 27.1 m95 -79.45 168.29 19.67 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.324 -0.86 . . . . 0.0 109.969 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -137.55 160.1 40.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 110.215 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 165.01 7.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.291 -0.881 . . . . 0.0 109.925 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 47.5 t -148.2 84.8 6.61 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 110.436 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.518 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.4 Cg_endo -73.99 -7.03 19.43 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 O-C-N 123.791 1.417 . . . . 0.0 111.08 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.777 ' HB1' ' HD1' ' A' ' 62' ' ' PHE . . . -55.86 -19.63 12.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.231 -0.918 . . . . 0.0 111.21 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.922 HD23 HD11 ' A' ' 53' ' ' LEU . 2.9 mp -126.53 -66.84 0.89 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.944 -1.097 . . . . 0.0 110.684 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.99 -165.44 29.96 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.57 133.75 19.35 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.849 1.447 . . . . 0.0 110.703 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.738 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 111.88 -32.66 6.22 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.712 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 85.7 m95 -62.89 147.02 51.48 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.406 -1.055 . . . . 0.0 111.435 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 5.4 mmtt -137.87 154.08 49.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.683 -0.636 . . . . 0.0 109.407 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.15 137.85 49.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.992 . . . . 0.0 110.752 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 4.7 tpm_? -140.12 133.53 29.98 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.61 -0.681 . . . . 0.0 109.478 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -99.59 137.08 38.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 0.0 110.248 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 31' ' ' SER . 9.8 t -116.04 104.98 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.523 -0.736 . . . . 0.0 109.93 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -86.09 37.9 0.74 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.091 -1.005 . . . . 0.0 110.512 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HG3' ' HB2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER 51.54 162.34 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.732 0.777 . . . . 0.0 111.399 179.537 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -128.27 -34.63 2.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 110.378 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 p 166.39 -170.29 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.368 -0.832 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 26' ' ' ALA . . . 106.15 -58.03 0.45 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . 177.94 -38.76 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.581 -0.952 . . . . 0.0 108.456 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.512 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 33.4 p -85.42 9.02 16.83 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.578 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.1 t -49.2 132.84 19.58 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.423 -0.798 . . . . 0.0 111.452 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.75 -7.16 55.26 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.665 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.637 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.8 mpt_? -91.45 128.66 37.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.283 . . . . 0.0 109.539 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 9.0 p -99.64 124.07 44.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.006 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.2 m-20 -124.01 129.72 51.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.539 -0.725 . . . . 0.0 109.66 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.642 HG22 ' CE2' ' A' ' 35' ' ' TYR . 31.2 m -98.48 118.61 35.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.243 -0.91 . . . . 0.0 110.238 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 55.2 m-85 -101.85 153.23 20.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.624 -0.673 . . . . 0.0 110.02 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -139.7 144.02 37.34 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.242 -0.911 . . . . 0.0 110.25 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -109.33 142.19 40.58 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . 9.5 p -54.99 -175.47 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.801 . . . . 0.0 110.092 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.738 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 45.9 Cg_endo -83.63 -7.79 10.52 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.386 1.203 . . . . 0.0 111.705 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -168.2 47.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 118.05 -1.46 . . . . 0.0 112.796 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 113.64 89.52 1.75 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 119.537 -1.316 . . . . 0.0 111.944 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.4 OUTLIER 165.09 108.73 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.83 -0.806 . . . . 0.0 109.123 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' NH2' ' H71' ' B' ' 104' ' ' ' DT' . 0.0 OUTLIER -79.68 116.0 19.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.298 -0.876 . . . . 0.0 110.888 -179.151 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.815 HG23 ' HB3' ' A' ' 48' ' ' GLU . 28.0 mt -112.94 148.98 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.489 -0.757 . . . . 0.0 109.128 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' CB ' H5A3 ' C' ' 118' ' ' 5CM . 60.5 mtt180 -135.85 4.22 3.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.216 -0.927 . . . . 0.0 111.583 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.543 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -163.34 -162.7 0.76 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.829 -1.17 . . . . 0.0 111.054 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -74.65 -47.96 28.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.455 -0.778 . . . . 0.0 109.669 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.563 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 15.3 t -54.56 -54.25 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.471 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.815 ' HB3' HG23 ' A' ' 43' ' ' ILE . 6.9 mm-40 -51.68 -42.47 62.19 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.384 -0.823 . . . . 0.0 109.233 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.859 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.6 tp -66.23 -46.32 77.61 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -61.12 -16.72 47.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.821 -0.549 . . . . 0.0 110.215 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.508 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mmt180 -78.53 -62.12 1.79 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.919 . . . . 0.0 110.486 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.4 t80 -53.14 -28.36 25.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.178 -0.951 . . . . 0.0 110.093 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.922 HD11 HD23 ' A' ' 11' ' ' LEU . 3.2 mt -92.05 -22.82 19.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.49 155.37 16.02 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.41 -27.21 19.52 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 O-C-N 123.897 1.472 . . . . 0.0 110.378 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.0 -21.01 55.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.152 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.91 74.38 4.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.189 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -59.65 160.19 7.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.328 -0.858 . . . . 0.0 110.183 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.887 HD11 HD13 ' A' ' 53' ' ' LEU . 65.3 mt -132.48 43.6 2.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -25.78 34.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.37 -0.831 . . . . 0.0 110.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.25 -24.47 37.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.414 -0.804 . . . . 0.0 110.212 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.777 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 67.8 t80 -68.21 118.36 11.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.027 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 1.9 m-20 -85.39 111.56 20.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 109.892 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -50.0 -43.36 50.54 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.354 -0.841 . . . . 0.0 110.889 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -55.1 6.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.102 -0.999 . . . . 0.0 111.052 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 14.6 mt-30 -64.76 -50.95 64.84 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.963 . . . . 0.0 110.622 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.641 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 85.2 52.28 3.47 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.946 -1.662 . . . . 0.0 108.946 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.601 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -156.8 155.28 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.563 -0.963 . . . . 0.0 110.093 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 69' ' ' LEU . 7.0 mt -103.18 87.41 2.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.783 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.1 t -47.13 -61.97 1.64 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.457 -0.777 . . . . 0.0 110.576 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.0 t80 51.49 88.79 0.11 Allowed Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.311 -0.868 . . . . 0.0 110.597 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.93 131.86 17.53 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 O-C-N 123.72 1.379 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.87 57.21 27.95 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.368 -0.833 . . . . 0.0 110.192 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.9 141.32 33.19 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 O-C-N 123.83 1.437 . . . . 0.0 110.383 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.5 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.495 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.655 0 O4'-C1'-N19 110.931 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.83 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.926 0 O4'-C1'-N19 110.428 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.83 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.763 0 O4'-C1'-N19 110.862 3.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.855 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.502 3.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.855 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.979 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.888 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.759 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.742 1 O4'-C1'-N19 111.362 4.452 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.891 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.895 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.891 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 1.972 0 O4'-C1'-N19 110.702 3.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.876 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.876 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.821 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.45 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.703 0 O4'-C1'-N19 110.877 3.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.497 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.696 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.819 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C1'-N19 110.55 3.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.819 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.73 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.491 H2'' ' C6 ' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.622 0 O4'-C1'-N19 110.719 3.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.781 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.938 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.838 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.838 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.876 1 O4'-C1'-N19 111.015 4.019 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.893 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.735 0 O4'-C1'-N19 110.845 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.893 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.782 0 O4'-C1'-N19 110.694 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.889 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.995 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.889 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.853 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.483 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.813 0 O4'-C1'-N19 110.988 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.226 0.536 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' GLU . . . -124.32 36.92 4.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.457 -0.777 . . . . 0.0 110.228 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 2' ' ' ALA . 4.4 mp0 63.39 -61.0 0.15 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.751 -0.593 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 2' ' ' ALA . 55.0 m-20 62.86 128.01 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.34 -0.85 . . . . 0.0 110.386 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.598 ' O ' HD23 ' A' ' 6' ' ' LEU . 82.9 m95 -79.57 172.48 13.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.456 -0.778 . . . . 0.0 110.26 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 5' ' ' TRP . 57.9 mt -135.25 160.6 37.87 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.105 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.77 152.97 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.292 -0.88 . . . . 0.0 110.427 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.476 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.4 t -142.73 84.69 10.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.829 . . . . 0.0 109.607 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.1 Cg_endo -72.0 -8.16 22.4 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 124.012 1.533 . . . . 0.0 111.881 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.919 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -54.21 -60.62 3.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.023 -1.048 . . . . 0.0 110.652 -179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.795 HD21 ' HG ' ' A' ' 49' ' ' LEU . 1.7 mp -79.74 -59.93 2.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.43 -0.794 . . . . 0.0 110.691 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.16 -161.14 32.07 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.27 147.92 38.09 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.847 1.446 . . . . 0.0 110.875 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.779 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 98.67 -32.07 7.43 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.775 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 63.7 m95 -65.32 146.31 55.09 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.412 -1.052 . . . . 0.0 111.447 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -140.24 149.94 43.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.649 -0.657 . . . . 0.0 109.596 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -126.36 122.89 36.69 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.171 -0.956 . . . . 0.0 110.682 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.74 138.33 50.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.385 -0.822 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.15 147.8 25.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.887 . . . . 0.0 110.269 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 34' ' ' TYR . 41.3 t -126.62 157.83 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.404 -0.81 . . . . 0.0 109.833 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -135.38 40.17 2.84 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.198 -0.938 . . . . 0.0 110.106 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.613 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.22 175.08 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.598 0.714 . . . . 0.0 111.315 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -140.48 -41.36 0.41 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.418 -0.801 . . . . 0.0 110.343 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.547 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 45.5 t 174.48 -166.96 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.378 -0.826 . . . . 0.0 110.962 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.6 -74.04 0.41 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -166.35 -43.88 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.634 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . 40.0 p -76.35 -1.96 29.39 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.215 0.531 . . . . 0.0 109.742 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 19.3 t -41.3 137.0 1.52 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 111.88 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.43 -9.74 60.97 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.346 -1.101 . . . . 0.0 110.346 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.542 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 10.8 mtp85 -91.54 134.88 34.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.123 -1.221 . . . . 0.0 109.925 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 94.7 p -99.8 130.81 46.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.861 . . . . 0.0 110.479 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.6 m-20 -123.47 134.84 53.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.776 . . . . 0.0 109.991 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.618 HG22 ' CE2' ' A' ' 35' ' ' TYR . 26.1 m -99.64 123.52 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CD1' HG21 ' A' ' 20' ' ' VAL . 69.0 m-85 -110.49 157.75 19.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.447 -0.783 . . . . 0.0 109.565 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.618 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.8 OUTLIER -140.3 145.17 36.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.966 . . . . 0.0 110.751 -179.522 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -110.11 141.29 43.19 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.503 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.1 p -54.6 -177.75 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.221 -0.924 . . . . 0.0 110.263 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.779 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -84.95 -7.81 9.24 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.476 1.251 . . . . 0.0 111.671 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 t -165.91 46.76 0.08 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 118.357 -1.337 . . . . 0.0 112.295 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 106.39 91.0 2.2 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.993 -1.099 . . . . 0.0 111.653 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 165.69 113.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.477 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.56 126.74 31.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 111.351 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.601 HG21 HD12 ' A' ' 49' ' ' LEU . 37.9 mm -117.82 149.21 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.638 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -123.11 -21.55 5.41 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.014 -1.054 . . . . 0.0 111.407 -179.106 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.591 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -155.42 -155.57 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.976 -1.078 . . . . 0.0 110.61 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -75.22 -46.15 35.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 110.261 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.62 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.0 t -54.53 -61.07 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.06 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.0 tp10 -49.5 -36.15 22.14 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.001 HD23 HD13 ' A' ' 59' ' ' LEU . 7.8 tp -65.69 -42.39 91.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 57' ' ' CYS . 52.0 m -65.9 -20.88 66.38 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 19.9 mmt85 -68.68 -55.94 9.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.277 -0.889 . . . . 0.0 109.567 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.7 t80 -56.78 -34.89 68.08 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.907 ' CD1' HD11 ' A' ' 59' ' ' LEU . 7.0 mt -80.41 -22.87 40.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.572 -0.705 . . . . 0.0 110.185 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.4 154.88 11.08 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.1 -21.97 31.16 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.881 1.464 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.21 -19.37 36.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.408 -0.808 . . . . 0.0 110.114 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.475 ' O ' HG23 ' A' ' 50' ' ' THR . 8.5 t -88.61 132.22 34.64 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.257 -0.902 . . . . 0.0 110.069 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 173.67 6.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.326 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.001 HD13 HD23 ' A' ' 49' ' ' LEU . 52.1 mt -148.39 49.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 109.335 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -65.46 -13.24 58.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.623 -0.673 . . . . 0.0 111.102 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.431 ' HB3' ' O ' ' A' ' 70' ' ' CYS . 53.4 mt -97.38 -10.38 25.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.152 -0.968 . . . . 0.0 110.775 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' HD23 ' A' ' 69' ' ' LEU . 35.6 t80 -76.79 121.98 24.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.13 -0.981 . . . . 0.0 109.274 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -90.35 18.53 6.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.206 -0.934 . . . . 0.0 111.252 -179.005 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 63' ' ' ASP . 82.9 t80 55.63 -81.44 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.375 -0.828 . . . . 0.0 110.851 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -57.31 -52.77 64.0 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.222 -0.924 . . . . 0.0 110.665 -179.791 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HB3' HD11 ' A' ' 68' ' ' ILE . 12.3 mm-40 -53.75 -38.83 64.78 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.199 -0.938 . . . . 0.0 110.41 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.04 24.2 64.61 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.892 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.5 pp -136.68 154.62 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.23 -1.159 . . . . 0.0 110.136 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.919 HD12 ' O ' ' A' ' 10' ' ' ALA . 8.3 mt -92.89 78.23 4.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -117.71 -145.59 0.39 Allowed 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.357 -0.84 . . . . 0.0 109.873 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -97.91 157.81 33.96 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -69.72 -24.89 29.36 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.796 1.419 . . . . 0.0 110.292 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 53.35 97.39 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.436 -0.79 . . . . 0.0 110.771 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.69 -26.18 16.47 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 O-C-N 123.691 1.364 . . . . 0.0 110.333 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.276 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.465 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.626 0 O4'-C1'-N19 110.943 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.799 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.799 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.693 0 O4'-C1'-N19 110.939 3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.864 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-N19 110.695 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.864 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.848 1 O4'-C1'-N19 111.066 4.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.852 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.652 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.824 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.838 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.941 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.838 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.842 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.928 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.842 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C1'-N19 110.764 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.434 " O5'" H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.801 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.531 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.877 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.853 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C1'-N19 110.462 3.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.853 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.726 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.647 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.79 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.725 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.725 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.943 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.876 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.655 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.876 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 1.971 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.869 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.811 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.474 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.795 0 O4'-C1'-N19 110.923 3.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.147 0.498 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.18 22.0 3.0 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.337 -0.852 . . . . 0.0 110.417 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -122.66 0.55 9.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.347 -0.846 . . . . 0.0 110.531 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 t0 58.94 107.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.197 -0.94 . . . . 0.0 110.526 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 30.1 m95 -79.73 131.83 36.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.321 -0.862 . . . . 0.0 110.008 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -108.6 160.22 16.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.31 -0.869 . . . . 0.0 110.108 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.64 178.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.263 -0.898 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.1 t -152.21 88.59 4.07 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.413 -0.805 . . . . 0.0 109.947 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.7 Cg_endo -72.81 -6.6 19.31 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 O-C-N 123.995 1.523 . . . . 0.0 111.639 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.826 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -52.72 -37.26 58.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.231 -0.918 . . . . 0.0 110.939 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.94 HD22 ' CZ2' ' A' ' 15' ' ' TRP . 4.4 mp -111.89 -63.25 1.45 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.857 . . . . 0.0 110.787 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.24 -160.17 24.09 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.74 145.98 37.57 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.888 1.467 . . . . 0.0 110.724 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.775 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 100.74 -36.93 3.83 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.94 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 77.4 m95 -60.76 147.75 41.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.415 -1.05 . . . . 0.0 110.868 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -140.17 151.7 45.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.717 . . . . 0.0 109.794 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -132.93 142.97 49.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 0.0 110.595 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.44 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 7.2 ttt180 -133.33 141.72 48.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.588 -0.695 . . . . 0.0 109.386 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.53 129.03 45.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 110.015 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.7 t -115.82 99.86 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.467 -0.771 . . . . 0.0 110.348 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -82.36 49.94 1.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.232 -0.918 . . . . 0.0 109.954 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.608 ' HE ' H5A1 ' B' ' 106' ' ' 5CM . 0.3 OUTLIER 49.16 -179.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.367 -0.833 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.507 ' N ' ' OP1' ' B' ' 106' ' ' 5CM . 18.0 ttpt -140.89 -36.53 0.46 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.435 -0.79 . . . . 0.0 109.868 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.472 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.4 OUTLIER 167.97 -168.16 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.455 -0.778 . . . . 0.0 110.772 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.96 -91.88 1.0 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.5 -43.08 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.598 -0.942 . . . . 0.0 108.975 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.584 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 44.4 p -75.31 -1.49 23.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.893 -0.505 . . . . 0.0 109.947 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -42.8 140.37 1.36 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.533 -0.73 . . . . 0.0 111.876 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 -17.03 49.65 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.511 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 57.0 mtp85 -82.18 149.76 27.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -1.183 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 p -113.51 103.31 11.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 110.218 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 95.1 m-20 -99.91 124.41 45.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 110.058 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.594 HG22 ' CE2' ' A' ' 35' ' ' TYR . 94.4 m -99.25 112.4 24.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 0.0 110.057 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 86.1 m-85 -100.46 151.64 21.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.504 -0.747 . . . . 0.0 109.699 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.594 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -140.07 154.0 46.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.182 -0.949 . . . . 0.0 110.287 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -115.32 149.92 37.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.498 -0.751 . . . . 0.0 109.3 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.557 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 6.3 m -55.37 -178.22 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.39 -0.819 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.775 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.8 Cg_endo -85.93 1.81 7.8 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.301 1.158 . . . . 0.0 112.864 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.48 HG22 ' OH ' ' A' ' 52' ' ' TYR . 11.4 t -167.06 16.8 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.625 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 137.86 83.58 0.12 Allowed Glycine 0 N--CA 1.497 2.723 0 C-N-CA 118.592 -1.766 . . . . 0.0 112.2 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.557 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 4.4 t0 169.05 121.17 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.765 -0.844 . . . . 0.0 108.94 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 137.8 37.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.808 . . . . 0.0 110.875 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.869 HG23 ' HB3' ' A' ' 48' ' ' GLU . 47.1 mt -136.16 146.34 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.53 -0.731 . . . . 0.0 109.178 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HB2' ' C5A' ' C' ' 118' ' ' 5CM . 0.7 OUTLIER -131.95 1.69 3.95 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.112 -0.992 . . . . 0.0 111.383 -178.798 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.467 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 5.7 m -161.23 -165.87 1.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.849 -1.157 . . . . 0.0 110.513 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 9.1 ttpt -75.11 -47.19 29.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.178 -0.951 . . . . 0.0 109.947 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.552 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.2 t -52.94 -52.21 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 0.0 108.95 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.869 ' HB3' HG23 ' A' ' 43' ' ' ILE . 5.0 mm-40 -52.11 -40.05 60.74 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.996 HD23 HD13 ' A' ' 59' ' ' LEU . 3.1 tp -64.6 -40.3 95.27 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 57' ' ' CYS . 98.3 m -67.49 -22.51 65.46 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.0 mtp180 -68.41 -58.57 4.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.231 -0.918 . . . . 0.0 109.848 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 13.1 t80 -57.82 -29.93 65.32 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.293 -0.879 . . . . 0.0 109.986 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.886 ' CD1' HD11 ' A' ' 59' ' ' LEU . 19.2 mt -85.53 -14.62 45.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.416 -0.803 . . . . 0.0 110.445 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.48 153.86 16.79 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.01 -15.4 32.42 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 O-C-N 123.77 1.405 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.38 -17.3 29.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 110.207 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 50' ' ' THR . 2.8 m -90.09 121.33 32.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.299 -0.875 . . . . 0.0 110.139 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -104.49 160.34 15.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 110.209 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.996 HD13 HD23 ' A' ' 49' ' ' LEU . 83.8 mt -139.27 55.5 1.69 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.435 -0.791 . . . . 0.0 110.016 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -12.03 61.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.813 . . . . 0.0 110.559 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 71' ' ' TYR . 7.0 mt -96.22 -23.63 16.62 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.656 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 60.5 t80 -59.19 144.74 45.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.221 -0.924 . . . . 0.0 110.178 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.57 110.46 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.434 -0.792 . . . . 0.0 110.06 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -56.12 -23.93 37.47 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.374 -0.829 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -61.55 1.66 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.0 110.591 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.39 -52.33 47.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.299 -0.875 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.705 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 99.04 47.5 1.88 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG22 ' HG2' ' A' ' 9' ' ' PRO . 8.4 pt -147.1 150.47 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.489 -1.006 . . . . 0.0 110.055 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 10' ' ' ALA . 3.3 mt -97.04 77.47 2.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 109.918 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.813 ' SG ' ' HB2' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -66.93 79.44 0.12 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.47 -0.769 . . . . 0.0 110.303 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.582 ' CD1' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -69.86 -55.05 9.24 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.38 -0.825 . . . . 0.0 110.762 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 71' ' ' TYR . 46.4 Cg_endo -71.01 -3.13 12.22 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 123.725 1.382 . . . . 0.0 111.375 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.813 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . . . -50.23 117.27 7.59 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.032 -1.043 . . . . 0.0 110.559 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.53 156.72 53.75 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.645 1.339 . . . . 0.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 mttt . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.476 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.57 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.842 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.855 0 O4'-C1'-N19 110.5 3.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.842 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C1'-N19 110.98 3.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.848 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.841 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.848 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.715 0 O4'-C1'-N19 110.781 3.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.84 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.776 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.442 1.669 1 O4'-C1'-N19 111.22 4.274 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.875 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.992 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.861 0 O4'-C1'-N19 110.65 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.886 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.991 0 O4'-C1'-N19 110.813 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.886 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.818 1 O4'-C1'-N19 111.017 4.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.425 " H2'" ' H72' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.759 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.839 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.839 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.717 0 O4'-C1'-N19 110.8 3.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.652 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.824 0 O4'-C1'-N19 110.797 3.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.745 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 P--O5' 1.61 1.662 1 O4'-C1'-N19 111.091 4.114 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.881 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.881 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.856 0 O4'-C1'-N19 110.97 3.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.889 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.854 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.889 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.862 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.834 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.834 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.802 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.485 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.802 0 O4'-C1'-N19 110.941 3.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 121.183 0.516 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.17 16.02 3.81 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.306 -0.871 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.26 -51.92 64.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 0.0 109.858 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.55 60.52 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.468 -0.77 . . . . 0.0 110.031 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 4.9 m95 -79.85 95.15 5.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.206 -0.934 . . . . 0.0 110.21 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 6' ' ' LEU . 77.6 mt -99.57 147.07 25.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.368 -0.832 . . . . 0.0 109.813 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -49.69 167.87 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.39 -0.819 . . . . 0.0 110.785 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.3 t -144.1 85.29 9.02 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 121.471 -0.768 . . . . 0.0 109.649 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.0 Cg_endo -70.57 -8.67 24.15 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 O-C-N 123.872 1.459 . . . . 0.0 111.282 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.919 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -60.79 -15.07 25.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.241 -0.912 . . . . 0.0 110.852 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.747 ' CD2' HD11 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -127.53 -67.64 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.017 -1.052 . . . . 0.0 110.668 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.57 -169.56 39.46 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 119.657 -1.259 . . . . 0.0 110.188 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.68 109.31 2.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.903 1.475 . . . . 0.0 110.752 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.79 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.19 -38.03 1.58 Allowed Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CH2' HD12 ' A' ' 49' ' ' LEU . 78.4 m95 -65.29 140.75 58.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.54 -0.977 . . . . 0.0 111.304 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -132.1 149.11 52.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.735 -0.603 . . . . 0.0 109.404 179.338 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.26 142.38 47.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.258 -0.901 . . . . 0.0 110.573 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 34.1 ttp85 -137.57 132.27 32.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.604 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.55 136.99 38.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.211 -0.931 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 31' ' ' SER . 22.3 t -120.5 100.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 109.978 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 22' ' ' ARG . 42.3 t80 -81.92 41.78 0.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.608 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.37 163.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.428 -0.795 . . . . 0.0 111.127 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.1 mmtt -129.63 -33.84 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.5 OUTLIER 167.03 -165.59 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.293 -0.879 . . . . 0.0 110.799 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -69.42 0.47 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -172.41 -39.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.655 -0.909 . . . . 0.0 108.554 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.513 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 22.1 p -80.19 -0.18 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.626 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.608 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 10.0 t -42.58 133.9 3.27 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.597 -0.689 . . . . 0.0 111.738 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.02 -12.52 37.69 Favored Glycine 0 N--CA 1.493 2.488 0 C-N-CA 119.975 -1.107 . . . . 0.0 110.65 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 82.7 mtt180 -88.51 150.73 22.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.958 -1.319 . . . . 0.0 110.122 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 46.8 p -114.51 101.47 9.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.6 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 2.0 m-20 -99.76 124.82 45.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.421 -0.799 . . . . 0.0 109.879 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.631 HG22 ' CE2' ' A' ' 35' ' ' TYR . 31.0 m -98.91 126.01 44.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 54.7 m-85 -110.61 158.14 18.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.554 -0.716 . . . . 0.0 109.722 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.631 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.5 OUTLIER -140.28 145.73 37.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 110.566 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 62.9 tt0 -107.33 147.22 30.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 109.357 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.565 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -54.15 -176.47 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.533 -0.729 . . . . 0.0 110.43 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.79 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.6 Cg_endo -85.08 -10.29 8.13 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 O-C-N 123.588 1.309 . . . . 0.0 110.462 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -164.94 19.75 0.05 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 118.641 -1.223 . . . . 0.0 112.58 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.88 85.23 0.11 Allowed Glycine 0 N--CA 1.496 2.696 0 C-N-CA 118.966 -1.588 . . . . 0.0 112.117 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.565 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.22 116.12 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.511 -0.993 . . . . 0.0 109.167 178.078 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 120.74 24.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.303 -0.873 . . . . 0.0 111.28 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 48' ' ' GLU . 42.7 mm -119.4 151.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 0.9 OUTLIER -127.07 -18.07 4.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.032 -1.043 . . . . 0.0 111.629 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.564 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.6 OUTLIER -151.48 -160.24 1.13 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.944 -1.098 . . . . 0.0 111.134 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -76.52 -44.59 34.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.497 -0.752 . . . . 0.0 109.965 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.559 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 7.5 t -58.92 -58.7 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.0 109.174 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.615 ' HB3' HG23 ' A' ' 43' ' ' ILE . 4.0 tt0 -49.85 -39.01 37.7 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.445 -0.785 . . . . 0.0 109.212 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.747 HD11 ' CD2' ' A' ' 11' ' ' LEU . 64.4 tp -66.21 -42.12 89.19 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.0 m -66.4 -15.19 63.11 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.769 -0.582 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.501 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 5.1 mtp180 -78.29 -59.85 2.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 0.0 110.376 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 3.8 t80 -59.72 -23.73 63.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.322 -0.861 . . . . 0.0 110.283 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.679 ' CD1' HD11 ' A' ' 59' ' ' LEU . 33.1 mt -88.89 3.75 50.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.596 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.14 154.62 30.06 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.01 -21.67 20.46 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.747 1.393 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.16 12.18 18.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.292 -0.88 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 t -121.72 67.59 0.91 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.154 -0.966 . . . . 0.0 110.097 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.565 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.6 m-20 -62.07 170.47 2.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.346 -0.846 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.679 HD11 ' CD1' ' A' ' 53' ' ' LEU . 87.5 mt -138.85 50.27 1.85 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.998 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -23.08 30.51 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.354 -0.841 . . . . 0.0 110.58 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.837 HD22 ' HB2' ' A' ' 71' ' ' TYR . 18.5 mt -96.41 16.47 18.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 23.6 t80 -107.53 114.65 28.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.25 -0.906 . . . . 0.0 109.821 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.92 128.54 33.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.314 -0.866 . . . . 0.0 109.68 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.22 -57.2 9.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -58.28 -49.41 77.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.343 -0.848 . . . . 0.0 110.755 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.41 -51.92 18.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.305 -0.872 . . . . 0.0 110.371 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.45 44.33 7.46 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.919 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -146.69 155.34 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.414 -1.05 . . . . 0.0 110.316 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 61' ' ' LEU . 7.8 mt -90.23 84.53 6.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 38.8 t -47.77 -27.07 1.83 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.5 -0.75 . . . . 0.0 110.672 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.837 ' HB2' HD22 ' A' ' 61' ' ' LEU . 46.9 m-85 -119.19 128.16 26.09 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.057 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 46.4 Cg_endo -72.88 -31.94 9.56 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.518 1.272 . . . . 0.0 110.435 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.729 ' HB1' ' HD2' ' A' ' 74' ' ' PRO . . . 56.51 173.25 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.409 -0.807 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 73' ' ' ALA . 46.7 Cg_endo -73.62 -51.69 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.8 1.421 . . . . 0.0 110.428 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.246 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.457 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C1'-N19 110.825 3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.855 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C1'-N19 110.638 3.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.855 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.812 0 O4'-C1'-N19 110.904 3.88 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.856 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.861 0 O4'-C1'-N19 110.654 3.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.856 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.863 1 O4'-C1'-N19 111.046 4.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.872 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.778 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.714 1 O4'-C1'-N19 111.32 4.4 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.869 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.1 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 0 O4'-C1'-N19 110.742 3.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.867 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.95 0 O4'-C1'-N19 110.809 3.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.867 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.865 0 O4'-C1'-N19 110.95 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.465 ' C6 ' H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.788 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.45 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.726 0 O4'-C1'-N19 110.963 3.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.871 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.871 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.669 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.587 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.587 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.708 1 O4'-C1'-N19 111.357 4.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.874 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.874 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.84 1 O4'-C1'-N19 111.078 4.098 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.877 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C1'-N19 110.986 3.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.877 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.779 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.873 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.927 0 O4'-C1'-N19 110.795 3.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.835 0 O4'-C1'-N19 110.987 3.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.476 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.822 0 O4'-C1'-N19 110.934 3.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.309 0.576 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.31 -25.09 15.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 110.362 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 18' ' ' ARG . 1.4 tt0 -87.23 83.67 7.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.334 -0.854 . . . . 0.0 110.072 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.423 ' O ' ' CD1' ' A' ' 5' ' ' TRP . 2.8 p30 -145.7 -144.13 0.15 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.337 -0.852 . . . . 0.0 109.41 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.427 ' NE1' ' HD2' ' A' ' 18' ' ' ARG . 56.9 m95 -154.36 107.17 2.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.097 -1.002 . . . . 0.0 110.119 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -108.49 160.25 16.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 0.0 109.897 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 166.04 3.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 51.9 t -143.96 87.33 8.07 Favored Pre-proline 0 N--CA 1.487 1.421 0 O-C-N 121.566 -0.709 . . . . 0.0 109.257 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.56 -2.48 10.82 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 O-C-N 124.106 1.582 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.887 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -58.96 -14.43 9.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.009 -1.057 . . . . 0.0 110.879 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.955 HD11 HD21 ' A' ' 49' ' ' LEU . 4.6 mp -130.23 -69.59 0.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.103 -0.998 . . . . 0.0 110.633 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.35 -164.75 28.37 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.52 139.75 28.92 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 O-C-N 123.879 1.463 . . . . 0.0 110.715 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.737 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 108.29 -37.48 3.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.784 ' CE2' HD22 ' A' ' 11' ' ' LEU . 57.0 m95 -59.25 137.84 57.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.549 -0.971 . . . . 0.0 111.344 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 140.78 46.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.596 -0.69 . . . . 0.0 109.224 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -123.38 148.02 46.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.175 -0.953 . . . . 0.0 111.003 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' A' ' 33' ' ' THR . 17.0 ttt180 -135.91 143.39 44.94 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 109.911 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.27 129.61 46.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 110.236 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 31' ' ' SER . 47.7 t -115.11 95.08 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.817 . . . . 0.0 109.975 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -79.86 51.35 1.31 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.315 -0.866 . . . . 0.0 110.54 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HE ' H5A1 ' B' ' 106' ' ' 5CM . 0.2 OUTLIER 49.7 173.54 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.932 0.872 . . . . 0.0 111.404 179.38 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.5 ttmm -126.87 -41.11 1.84 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.52 -0.737 . . . . 0.0 109.145 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 1.8 p 163.7 -177.59 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.775 -0.578 . . . . 0.0 110.498 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.59 -96.56 0.84 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.37 -46.91 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.615 -0.932 . . . . 0.0 108.839 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.6 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 76.0 p -74.09 -5.64 42.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.934 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.602 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 28.1 p -40.47 144.92 0.2 Allowed 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.414 0.626 . . . . 0.0 111.947 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.46 -19.52 52.29 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 8.8 mtp85 -78.67 152.8 31.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -1.2 . . . . 0.0 110.309 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 3.4 t -118.2 105.28 11.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.405 -0.809 . . . . 0.0 110.209 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.4 m-20 -99.32 123.83 43.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.448 -0.783 . . . . 0.0 109.789 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 2.0 m -98.99 113.81 26.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.397 -0.814 . . . . 0.0 110.424 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 91.2 m-85 -107.37 143.03 36.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.565 -0.709 . . . . 0.0 109.498 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.422 ' OH ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.1 149.14 42.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.171 -0.955 . . . . 0.0 110.391 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -104.88 153.87 20.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.465 -0.772 . . . . 0.0 109.666 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.566 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 4.1 p -56.06 -175.1 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.508 -0.745 . . . . 0.0 110.249 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.737 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -82.91 -8.82 11.0 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.597 1.314 . . . . 0.0 111.269 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -168.58 22.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.19 -1.404 . . . . 0.0 113.12 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.84 77.22 0.03 OUTLIER Glycine 0 N--CA 1.498 2.774 0 C-N-CA 118.659 -1.734 . . . . 0.0 112.302 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.51 106.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.505 -0.997 . . . . 0.0 109.42 177.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.614 ' C ' HD12 ' A' ' 43' ' ' ILE . 10.3 tpp180 -80.16 125.44 29.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.753 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 42' ' ' ARG . 1.4 mp -112.79 145.58 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 109.537 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.602 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 40.8 mtt180 -119.08 3.45 11.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.407 -0.808 . . . . 0.0 110.454 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 1.046 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -169.64 -165.66 0.52 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.169 -0.957 . . . . 0.0 110.393 -179.335 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 45' ' ' SER . 5.7 ttpt -78.57 -40.8 33.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.387 -0.821 . . . . 0.0 108.796 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.506 HG23 H5'' ' C' ' 117' ' ' ' DC' . 39.7 t -58.74 -52.29 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.34 -0.85 . . . . 0.0 108.844 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.487 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 4.9 mm-40 -51.34 -37.85 49.99 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.006 HD23 HD13 ' A' ' 59' ' ' LEU . 2.4 tp -67.37 -44.94 77.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.1 m -63.42 -17.23 62.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.753 -0.592 . . . . 0.0 110.105 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 8.1 mtt-85 -76.83 -60.66 2.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 110.454 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 3.5 t80 -58.88 -21.07 56.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.324 -0.86 . . . . 0.0 110.373 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.794 ' CD1' HD11 ' A' ' 59' ' ' LEU . 45.3 mt -92.24 -18.24 23.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.39 156.65 18.63 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.55 -19.25 32.58 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.877 1.461 . . . . 0.0 110.454 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.08 14.03 17.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.878 . . . . 0.0 110.305 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.5 m -120.47 67.98 0.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 110.026 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -57.71 159.4 5.26 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.331 -0.856 . . . . 0.0 110.352 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.006 HD13 HD23 ' A' ' 49' ' ' LEU . 97.7 mt -140.66 50.36 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.481 -0.762 . . . . 0.0 110.106 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -27.37 69.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.225 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.481 HD21 ' CE1' ' A' ' 71' ' ' TYR . 4.5 mt -77.67 -19.07 55.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.383 -0.823 . . . . 0.0 110.484 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 34.1 t80 -68.84 147.11 52.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 110.278 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.27 117.74 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.412 -0.805 . . . . 0.0 110.165 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 51.7 t80 -58.07 -30.37 66.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.45 -0.781 . . . . 0.0 110.262 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -90.35 -63.88 1.21 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.482 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.37 -35.92 76.85 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.325 -0.859 . . . . 0.0 110.581 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.63 42.79 31.47 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.887 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -145.19 159.78 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.429 -1.042 . . . . 0.0 110.201 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 61' ' ' LEU . 4.8 mt -83.8 73.16 10.33 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.476 -0.765 . . . . 0.0 110.046 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.5 t -91.92 -138.56 0.17 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.391 -0.818 . . . . 0.0 110.052 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.481 ' CE1' HD21 ' A' ' 61' ' ' LEU . 6.7 m-85 -144.53 68.59 15.0 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.189 -0.944 . . . . 0.0 110.297 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 61' ' ' LEU . 45.5 Cg_endo -72.34 73.67 2.69 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 O-C-N 123.693 1.365 . . . . 0.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 52.18 83.01 0.23 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.323 -0.861 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.53 152.66 54.47 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 O-C-N 123.769 1.405 . . . . 0.0 110.513 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.186 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.493 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.701 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.848 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.966 0 O4'-C1'-N19 110.492 3.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.848 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.687 0 O4'-C1'-N19 110.873 3.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.834 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.834 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.627 0 O4'-C1'-N19 110.783 3.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.879 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.781 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.915 1 O4'-C1'-N19 111.237 4.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.858 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C1'-N19 110.983 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.858 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 1.964 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.859 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.991 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.859 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.792 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.471 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.759 0 O4'-C1'-N19 110.891 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.405 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.833 0 O4'-C1'-N19 110.803 3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.821 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.031 0 O4'-C1'-N19 110.547 3.434 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.821 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.618 0 O4'-C1'-N19 110.836 3.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.664 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.691 1 O4'-C1'-N19 111.06 4.075 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 1.046 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.524 1.642 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.841 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.841 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.895 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.931 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.895 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.897 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.899 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C1'-N19 110.836 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.899 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.823 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.466 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.766 0 O4'-C1'-N19 110.895 3.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.218 0.533 . . . . 0.0 110.149 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.84 100.44 13.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 110.203 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -79.26 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.362 -0.836 . . . . 0.0 110.18 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.93 116.63 0.29 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.261 -0.9 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 25.3 m95 -104.25 115.06 29.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.326 -0.859 . . . . 0.0 109.972 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 mt -102.6 160.59 14.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.375 -0.828 . . . . 0.0 110.188 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.3 175.81 1.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.185 -0.947 . . . . 0.0 110.422 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -148.92 87.33 5.45 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.437 -0.79 . . . . 0.0 109.572 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.3 Cg_endo -72.89 -5.69 17.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.903 1.475 . . . . 0.0 111.685 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.868 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -52.24 -63.97 0.97 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.202 -0.936 . . . . 0.0 110.917 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.72 HD21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mp -79.68 -57.74 3.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.387 -0.82 . . . . 0.0 110.472 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 -171.56 44.22 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.33 97.78 1.05 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.9 1.474 . . . . 0.0 110.708 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.839 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 162.5 -31.23 0.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.67 ' CE2' HD22 ' A' ' 11' ' ' LEU . 60.4 m95 -75.08 158.94 32.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.516 -0.991 . . . . 0.0 111.817 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 22.3 mmtt -138.84 149.82 45.34 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.46 145.14 47.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.164 -0.96 . . . . 0.0 110.762 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -140.13 134.89 31.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.698 -0.627 . . . . 0.0 109.412 179.355 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.5 122.89 43.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.195 -0.941 . . . . 0.0 110.16 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 34' ' ' TYR . 16.5 t -108.64 96.87 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.534 -0.729 . . . . 0.0 110.406 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.1 t80 -84.9 42.97 0.96 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.327 -0.858 . . . . 0.0 109.951 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.83 165.06 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.643 0.735 . . . . 0.0 111.033 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -131.8 -33.63 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.013 . . . . 0.0 110.481 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 3.0 t 169.94 -173.38 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.365 -0.834 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.504 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 105.76 -95.01 1.03 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.22 -41.75 0.23 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.594 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 39.8 p -76.71 -1.03 25.87 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.905 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.3 p -44.23 135.02 4.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.544 -0.723 . . . . 0.0 111.661 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.51 -12.77 36.06 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.024 -1.084 . . . . 0.0 110.581 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 12.4 mtt180 -89.28 150.31 22.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.026 -1.279 . . . . 0.0 110.369 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 79.9 p -116.91 105.98 12.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -110.01 128.47 55.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 109.983 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.647 HG22 ' CE2' ' A' ' 35' ' ' TYR . 29.9 m -99.54 122.47 42.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 0.0 110.187 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CD1' HG21 ' A' ' 20' ' ' VAL . 42.2 m-85 -105.1 158.83 16.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.439 -0.788 . . . . 0.0 109.467 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.647 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.4 OUTLIER -140.27 143.8 36.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.111 -0.993 . . . . 0.0 110.975 -179.23 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.449 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -99.77 145.44 27.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.15 178.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.543 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -53.25 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.54 -0.725 . . . . 0.0 110.906 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.839 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.3 Cg_endo -81.86 -8.73 12.16 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.538 1.283 . . . . 0.0 111.431 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -159.96 -7.21 0.06 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.196 -1.402 . . . . 0.0 113.206 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.61 82.01 0.04 OUTLIER Glycine 0 N--CA 1.497 2.713 0 C-N-CA 118.53 -1.795 . . . . 0.0 111.978 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.543 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 t70 172.89 118.48 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.597 -0.943 . . . . 0.0 108.927 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.51 136.35 36.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.26 -0.9 . . . . 0.0 110.883 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.596 HD13 ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -128.5 160.31 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.427 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.594 ' CB ' H5A3 ' C' ' 118' ' ' 5CM . 1.4 mtt180 -140.6 3.68 1.9 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.497 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 2.1 m -163.58 -169.36 1.91 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.871 -1.143 . . . . 0.0 110.594 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 15.4 ttpt -79.92 -45.96 17.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 109.471 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.506 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 30.8 t -55.13 -45.94 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.468 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -54.12 -37.07 63.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.138 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.783 HD23 HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -69.51 -47.71 62.94 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.325 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -58.53 -21.67 53.01 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.187 0.518 . . . . 0.0 110.028 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.4 mtt180 -74.53 -55.46 5.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 110.204 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.474 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -66.12 -12.8 58.1 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.459 -0.776 . . . . 0.0 110.771 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.694 ' CD1' HD11 ' A' ' 59' ' ' LEU . 52.9 mt -104.2 -1.22 27.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 110.875 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.17 154.12 23.21 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.39 -24.45 26.78 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.759 1.4 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.24 21.93 9.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.306 -0.871 . . . . 0.0 110.126 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -116.12 62.97 0.7 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 0.0 110.077 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 160.38 7.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.783 HD13 HD23 ' A' ' 49' ' ' LEU . 96.8 mt -138.52 67.62 1.4 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.471 -0.768 . . . . 0.0 110.076 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -8.87 57.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.505 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.567 HD22 ' HA ' ' A' ' 71' ' ' TYR . 5.4 mt -99.25 -19.34 17.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.947 . . . . 0.0 110.569 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.651 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 68.0 t80 -73.9 129.84 38.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.321 -0.862 . . . . 0.0 110.111 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.8 t0 -92.67 122.77 35.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.07 -59.04 6.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.367 -0.833 . . . . 0.0 110.329 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.2 -58.11 9.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.389 -0.819 . . . . 0.0 111.074 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 27.3 mt-30 -66.04 -55.94 14.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.163 -0.961 . . . . 0.0 110.569 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 90.78 50.92 2.77 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.574 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.4 pt -147.45 157.67 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.408 -1.054 . . . . 0.0 110.261 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.8 mt -106.53 84.65 2.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 109.901 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 14.0 m -51.38 -51.6 53.2 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.426 -0.796 . . . . 0.0 110.541 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.567 ' HA ' HD22 ' A' ' 61' ' ' LEU . 5.3 t80 51.94 56.72 16.01 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.357 -0.839 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.17 -165.04 0.19 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.804 1.423 . . . . 0.0 110.463 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.94 149.62 32.83 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.374 -0.829 . . . . 0.0 110.403 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.28 -170.79 0.69 Allowed 'Trans proline' 0 C--N 1.31 -1.476 0 O-C-N 123.77 1.405 . . . . 0.0 110.434 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.204 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.476 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.737 0 O4'-C1'-N19 110.797 3.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.851 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.444 1.855 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.851 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.706 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.861 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.853 0 O4'-C1'-N19 110.582 3.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.861 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.757 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.876 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.757 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.721 1 O4'-C1'-N19 111.349 4.436 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.873 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.835 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.827 0 O4'-C1'-N19 110.686 3.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.832 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.943 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.832 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.891 1 O4'-C1'-N19 111.059 4.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.755 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.469 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.783 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.875 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.96 0 O4'-C1'-N19 110.554 3.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.693 0 O4'-C1'-N19 110.854 3.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.686 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.7 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.781 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.725 1 O4'-C1'-N19 111.203 4.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.816 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.816 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.888 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.897 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.731 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.897 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.877 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.877 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.784 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.467 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.765 0 O4'-C1'-N19 110.98 3.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.115 0.483 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . -76.43 97.79 4.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.442 -0.786 . . . . 0.0 110.076 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.29 -79.35 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.512 -0.742 . . . . 0.0 110.265 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -172.61 101.96 0.15 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.284 -0.885 . . . . 0.0 110.102 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.429 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 23.0 m95 -85.23 123.42 30.7 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.382 -0.824 . . . . 0.0 110.227 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.66 160.56 16.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.853 . . . . 0.0 110.147 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -72.35 173.27 8.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.209 -0.932 . . . . 0.0 110.393 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -150.18 89.14 4.61 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.42 -0.8 . . . . 0.0 109.685 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.8 Cg_endo -72.34 -4.95 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 O-C-N 123.992 1.522 . . . . 0.0 111.616 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.743 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -59.63 -16.01 23.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.069 -1.02 . . . . 0.0 110.991 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.999 HD11 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -126.5 -69.3 0.77 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.985 -1.072 . . . . 0.0 110.417 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.22 -162.4 27.93 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.11 141.49 32.77 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.829 1.436 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.8 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 106.21 -30.42 9.65 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.971 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 50.8 m95 -66.86 140.72 57.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.44 -1.035 . . . . 0.0 111.664 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 19.0 mmtt -140.13 147.64 40.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.764 -0.585 . . . . 0.0 109.441 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 35' ' ' TYR . 60.2 ttp180 -125.38 150.37 47.29 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 110.586 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 45.3 ttp85 -140.11 140.77 36.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.541 -0.724 . . . . 0.0 109.579 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.91 137.73 37.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 34' ' ' TYR . 24.6 t -121.57 98.04 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.892 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.3 m-85 -80.1 46.16 0.79 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.163 -0.961 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.613 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.82 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.259 -0.9 . . . . 0.0 111.086 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -131.71 -33.42 1.41 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 0.0 110.638 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.5 OUTLIER 167.58 -165.65 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.275 -0.89 . . . . 0.0 110.944 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.87 -73.84 0.47 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.88 -40.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.499 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 24.0 p -77.63 -1.47 31.07 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.606 178.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 11.9 t -41.47 133.33 2.57 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.575 -0.703 . . . . 0.0 111.721 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.47 -15.4 29.8 Favored Glycine 0 N--CA 1.493 2.493 0 C-N-CA 120.011 -1.09 . . . . 0.0 110.751 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 80.0 mtt180 -83.96 166.41 17.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.313 . . . . 0.0 110.301 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 32.1 p -127.0 103.19 7.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.428 -0.795 . . . . 0.0 110.624 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.8 m-20 -99.98 122.17 42.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.496 -0.753 . . . . 0.0 109.786 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.633 HG22 ' CE2' ' A' ' 35' ' ' TYR . 90.7 m -99.01 120.96 40.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 110.078 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 73.2 m-85 -106.6 160.43 15.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.506 -0.746 . . . . 0.0 109.713 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.633 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.9 OUTLIER -138.85 150.53 46.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.028 -1.045 . . . . 0.0 110.865 -179.377 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.95 138.42 50.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.595 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 4.3 m -53.26 176.31 0.1 Allowed Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 110.288 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.8 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.2 Cg_endo -82.39 0.23 9.85 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.308 1.162 . . . . 0.0 112.259 -178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -165.39 20.28 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.872 -1.531 . . . . 0.0 113.024 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.47 80.04 0.17 Allowed Glycine 0 N--CA 1.495 2.594 0 C-N-CA 118.925 -1.607 . . . . 0.0 112.337 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.595 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 178.06 116.8 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.485 -1.009 . . . . 0.0 109.519 177.813 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -79.86 137.93 37.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.387 -0.821 . . . . 0.0 110.712 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.882 HG21 HD12 ' A' ' 49' ' ' LEU . 28.3 mt -140.18 150.92 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.509 -0.744 . . . . 0.0 109.413 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.447 ' HB2' ' C5A' ' C' ' 118' ' ' 5CM . 0.1 OUTLIER -127.69 -2.74 6.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 111.353 -178.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.521 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 21.3 m -159.15 -166.73 1.9 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.137 . . . . 0.0 110.429 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 18.5 ttpt -77.08 -47.16 21.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.223 -0.923 . . . . 0.0 110.058 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.557 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.8 t -51.8 -49.38 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 108.785 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.858 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -51.57 -36.18 44.31 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.264 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.999 HD21 HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -67.14 -44.29 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.035 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.6 m -63.3 -17.51 62.61 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.089 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 15.2 mtp180 -77.84 -63.93 1.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.279 -0.888 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 4.1 t80 -57.93 -27.38 63.32 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.306 -0.871 . . . . 0.0 110.23 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.765 ' CD1' HD11 ' A' ' 59' ' ' LEU . 50.5 mt -83.42 1.8 39.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.393 -0.817 . . . . 0.0 110.439 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.52 154.29 30.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -75.12 -3.87 14.55 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.722 1.38 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.54 -11.71 19.06 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.59 -166.09 0.05 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.027 -1.046 . . . . 0.0 110.244 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -169.55 129.84 1.04 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.814 HD13 HD23 ' A' ' 49' ' ' LEU . 34.7 mt -133.71 43.44 2.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.386 -0.821 . . . . 0.0 109.817 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -21.22 59.88 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.481 -0.762 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.36 -20.1 20.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.4 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.656 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 27.6 t80 -61.22 135.57 57.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.232 -0.918 . . . . 0.0 110.217 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.9 t70 -101.63 135.9 42.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.478 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -74.97 -66.66 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 110.848 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -28.93 23.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 111.26 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.768 ' OE1' HD11 ' A' ' 68' ' ' ILE . 41.2 mt-30 -96.3 -47.98 5.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.176 -0.952 . . . . 0.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.99 47.7 6.08 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.768 HD11 ' OE1' ' A' ' 66' ' ' GLN . 0.9 OUTLIER -145.46 159.64 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.311 -1.111 . . . . 0.0 110.184 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' TYR . 4.6 mt -88.26 80.4 7.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 110.063 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.8 t -47.36 91.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.546 0.688 . . . . 0.0 110.659 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' LEU . 91.5 m-85 -44.29 160.02 0.24 Allowed Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.86 -0.525 . . . . 0.0 110.944 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.69 146.72 43.82 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 O-C-N 123.968 1.51 . . . . 0.0 110.469 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.82 156.32 29.66 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.426 -0.796 . . . . 0.0 110.19 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -72.48 -82.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.688 1.362 . . . . 0.0 110.65 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.265 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.541 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.809 0 O4'-C1'-N19 110.964 3.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.875 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.745 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.68 ' H72' " H2'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.078 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.639 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.989 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.816 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.784 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.826 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.879 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.926 1 O4'-C1'-N19 111.242 4.303 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.879 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.9 0 O4'-C1'-N19 110.607 3.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.851 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.443 1.796 0 O4'-C1'-N19 110.75 3.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.851 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.799 0 O4'-C1'-N19 110.974 3.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.872 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.526 " H2'" ' H72' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.832 1 O4'-C1'-N19 111.026 4.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.843 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.734 0 O4'-C1'-N19 110.544 3.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.843 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.677 0 O4'-C1'-N19 110.72 3.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.683 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.683 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.742 1 O4'-C1'-N19 111.178 4.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.848 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.848 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.862 0 O4'-C1'-N19 110.861 3.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.849 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O4'-C1'-N19 110.797 3.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.849 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.889 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.894 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C1'-N19 110.713 3.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.894 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.827 0 O4'-C1'-N19 110.943 3.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.472 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.741 0 O4'-C1'-N19 110.894 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.16 0.505 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.96 114.19 18.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.387 -0.821 . . . . 0.0 110.207 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -64.77 0.8 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.389 -0.819 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -168.82 79.84 0.13 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.396 -0.815 . . . . 0.0 110.125 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 24.1 m95 -81.77 110.49 17.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 148.47 26.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.411 -0.805 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.17 159.9 1.75 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 110.642 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.84 80.73 48.45 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.502 -0.749 . . . . 0.0 109.564 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HG2' HG22 ' A' ' 68' ' ' ILE . 39.4 Cg_endo -70.47 -5.21 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 O-C-N 123.961 1.506 . . . . 0.0 111.371 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.859 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -58.4 -15.65 11.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.244 -0.91 . . . . 0.0 111.027 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.78 ' CD2' HD11 ' A' ' 49' ' ' LEU . 1.1 mp -126.9 -69.1 0.77 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.001 -1.062 . . . . 0.0 110.614 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.28 -178.77 38.7 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.55 91.6 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.858 1.452 . . . . 0.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.807 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 164.31 -31.08 0.25 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.693 ' CH2' HD12 ' A' ' 49' ' ' LEU . 78.2 m95 -72.68 143.74 47.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.485 -1.009 . . . . 0.0 111.469 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 6.2 mmtt -130.97 153.34 49.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.2 148.68 52.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 110.569 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -139.92 160.19 40.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.21 -0.931 . . . . 0.0 110.173 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.15 131.18 55.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.377 -0.827 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.601 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -118.37 95.26 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -83.52 42.41 0.83 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.498 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.37 169.66 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.357 -0.84 . . . . 0.0 111.172 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' SER . 1.2 tppt? -137.76 -32.32 0.75 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.121 -0.987 . . . . 0.0 110.698 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 6.2 t 169.13 -170.76 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.441 -0.787 . . . . 0.0 110.677 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 104.0 -76.43 0.27 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.16 -40.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.96 . . . . 0.0 108.581 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.527 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 29.9 p -78.5 0.94 24.04 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.539 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.21 135.27 3.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.612 -0.68 . . . . 0.0 111.798 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 -14.21 39.57 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.702 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 54.3 mtt180 -86.03 143.58 28.03 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.029 -1.277 . . . . 0.0 110.278 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 56.7 p -113.17 102.07 10.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.438 -0.789 . . . . 0.0 110.46 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.35 131.35 51.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.772 . . . . 0.0 109.957 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 18' ' ' ARG . 24.8 m -99.28 121.73 41.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD1' HG21 ' A' ' 20' ' ' VAL . 33.5 m-85 -103.08 157.96 16.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.889 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -140.2 155.12 47.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.214 -0.929 . . . . 0.0 110.264 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 29.2 tt0 -115.21 148.73 38.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.846 . . . . 0.0 109.453 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.597 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -54.28 -174.9 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.501 -0.749 . . . . 0.0 110.465 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.807 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 51.4 Cg_endo -81.5 -20.49 6.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 O-C-N 123.483 1.254 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -156.53 15.06 0.3 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.386 -1.325 . . . . 0.0 113.061 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 151.78 83.13 0.04 OUTLIER Glycine 0 N--CA 1.497 2.753 0 C-N-CA 118.492 -1.813 . . . . 0.0 112.426 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.597 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.27 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.68 -0.894 . . . . 0.0 109.202 177.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -98.8 118.44 35.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.26 -0.9 . . . . 0.0 111.205 -179.053 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.409 HG12 ' CH2' ' A' ' 15' ' ' TRP . 1.2 mp -108.47 148.91 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 33.1 mtt180 -132.71 1.91 3.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 111.13 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.546 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -166.44 -165.73 0.8 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.891 -1.13 . . . . 0.0 110.967 -179.778 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -71.37 -52.31 19.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.287 -0.883 . . . . 0.0 109.531 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.514 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 5.7 t -52.24 -57.79 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.592 -0.693 . . . . 0.0 109.378 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -47.99 -46.86 33.15 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.672 0.749 . . . . 0.0 109.62 179.082 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.78 HD11 ' CD2' ' A' ' 11' ' ' LEU . 61.5 tp -63.73 -47.13 82.33 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.726 0.774 . . . . 0.0 109.002 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -61.2 -15.47 34.54 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.691 -0.631 . . . . 0.0 110.324 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.4 mtt180 -79.68 -62.68 1.61 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.117 -0.989 . . . . 0.0 110.73 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 17.6 t80 -53.15 -27.95 23.63 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.216 -0.927 . . . . 0.0 110.56 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.69 HD11 ' CD2' ' A' ' 11' ' ' LEU . 16.4 mt -80.63 -6.65 58.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.372 -0.83 . . . . 0.0 110.826 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.94 156.95 28.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.61 -20.79 26.4 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.959 1.505 . . . . 0.0 110.394 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.66 25.97 4.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 m -127.88 115.24 18.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.807 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -104.54 161.6 13.97 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.34 -0.85 . . . . 0.0 110.213 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 58' ' ' ASP . 29.1 mt -134.63 68.41 1.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -13.64 62.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.326 -0.859 . . . . 0.0 110.605 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 69' ' ' LEU . 52.5 mt -109.61 16.79 21.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.214 -0.929 . . . . 0.0 110.633 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.676 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 92.4 t80 -99.66 114.31 27.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.21 -0.931 . . . . 0.0 110.297 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.16 112.31 20.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.359 -0.838 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.81 -55.67 18.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 56.97 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.543 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HB3' HD11 ' A' ' 68' ' ' ILE . 1.1 mt-30 -176.81 -55.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.348 -0.845 . . . . 0.0 110.128 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 83.83 52.07 3.8 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.859 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pp -159.0 154.45 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.332 -1.099 . . . . 0.0 110.493 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 61' ' ' LEU . 6.4 mt -94.57 84.99 4.39 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' LEU . 4.1 t -34.79 -50.48 0.47 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.687 -0.633 . . . . 0.0 111.76 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.452 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 0.5 OUTLIER 55.86 173.86 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.224 -0.923 . . . . 0.0 110.367 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 71' ' ' TYR . 47.4 Cg_endo -74.75 157.88 43.51 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.717 1.377 . . . . 0.0 110.486 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 52.23 93.24 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.331 -0.856 . . . . 0.0 110.631 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.6 158.46 50.76 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 O-C-N 123.793 1.417 . . . . 0.0 110.364 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.8 pttt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.266 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.434 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.827 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.939 0 O4'-C1'-N19 110.398 3.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.827 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.79 1 O4'-C1'-N19 111.01 4.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.832 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.909 0 O4'-C1'-N19 110.577 3.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.832 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.801 1 O4'-C1'-N19 111.096 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.874 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.808 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.441 1.613 1 O4'-C1'-N19 111.362 4.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.865 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.875 1 O4'-C1'-N19 111.036 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.865 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.892 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.884 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.884 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.791 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.81 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.589 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.767 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.875 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.899 0 O4'-C1'-N19 110.657 3.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.714 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.535 H2'' ' C6 ' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 P--O5' 1.61 1.699 1 O4'-C1'-N19 111.114 4.143 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.686 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.78 1 O4'-C1'-N19 111.302 4.377 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.843 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.843 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.865 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.784 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.865 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.879 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.877 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C1'-N19 110.762 3.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.877 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.83 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.459 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.81 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.265 0.555 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.67 45.41 0.1 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.359 -0.838 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -91.05 -27.58 18.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.391 -0.818 . . . . 0.0 110.36 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 55.38 107.24 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.458 -0.776 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 36.0 m95 -79.58 135.09 36.51 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.374 -0.828 . . . . 0.0 109.972 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.43 160.86 19.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.389 -0.82 . . . . 0.0 110.199 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.26 179.68 0.93 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.224 -0.922 . . . . 0.0 110.225 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 15' ' ' TRP . 50.8 t -153.6 88.27 3.67 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.409 -0.807 . . . . 0.0 109.813 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.1 Cg_endo -73.2 -5.27 16.88 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.887 1.467 . . . . 0.0 111.67 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -57.61 -19.2 24.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.016 . . . . 0.0 111.167 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.604 HD21 HD11 ' A' ' 49' ' ' LEU . 1.2 mt -134.75 -61.93 0.75 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.066 -1.021 . . . . 0.0 110.462 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.09 -174.95 31.57 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -83.04 23.26 0.83 Allowed 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.685 1.361 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . -113.33 -24.23 4.84 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.745 ' CH2' HD13 ' A' ' 49' ' ' LEU . 47.9 m95 -75.97 155.26 35.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.417 -1.049 . . . . 0.0 111.776 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 4.6 tptt -137.68 143.75 41.46 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -120.68 135.27 55.17 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.1 -1.0 . . . . 0.0 110.987 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 40.9 ttp85 -130.47 133.87 46.63 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.57 145.9 27.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.107 -0.996 . . . . 0.0 110.413 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 32' ' ' ASP . 13.7 t -130.69 106.06 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.497 -0.752 . . . . 0.0 110.08 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.6 t80 -83.58 50.19 1.74 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.132 -0.98 . . . . 0.0 110.372 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.625 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 48.66 -179.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 111.126 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 24' ' ' SER . 0.0 OUTLIER -143.35 -42.06 0.29 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.343 -0.848 . . . . 0.0 110.225 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 54.8 p 177.15 -163.43 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.29 -0.881 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.0 -91.5 1.31 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.62 -41.98 0.14 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.927 0.87 . . . . 0.0 108.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.545 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 40.9 p -76.4 -1.61 27.82 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.171 0.51 . . . . 0.0 109.967 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 41.7 t -43.97 139.22 2.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.457 -0.777 . . . . 0.0 111.835 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.41 -13.8 54.55 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.662 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 55.9 mtt180 -88.93 157.03 18.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.268 . . . . 0.0 110.454 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -112.16 129.13 56.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.401 -0.812 . . . . 0.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.486 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.5 m-20 -119.98 126.15 50.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.423 -0.798 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 35' ' ' TYR . 3.1 m -99.52 112.11 24.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -0.799 . . . . 0.0 110.335 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 87.9 m-85 -107.88 146.19 32.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.589 -0.694 . . . . 0.0 109.297 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -140.07 151.76 45.64 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.964 -1.085 . . . . 0.0 110.658 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.369 -0.832 . . . . 0.0 109.829 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.479 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -53.63 -176.39 0.03 OUTLIER Pre-proline 0 N--CA 1.496 1.875 0 O-C-N 121.731 -0.606 . . . . 0.0 110.478 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.0 Cg_endo -80.47 -24.38 5.34 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 123.499 1.263 . . . . 0.0 111.19 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.0 t -149.88 5.86 0.6 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.359 -1.336 . . . . 0.0 113.145 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.05 82.65 0.04 OUTLIER Glycine 0 N--CA 1.496 2.684 0 C-N-CA 118.42 -1.848 . . . . 0.0 112.073 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.37 127.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.411 -1.052 . . . . 0.0 110.275 178.039 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' O ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -81.92 119.78 24.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.436 -0.79 . . . . 0.0 109.881 179.772 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 48' ' ' GLU . 45.9 mm -122.3 154.3 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.829 . . . . 0.0 109.752 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 21.4 mtt180 -134.96 -15.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 111.589 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 1.05 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.9 OUTLIER -145.1 -161.77 1.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.936 -1.102 . . . . 0.0 110.941 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' N ' ' OG ' ' A' ' 45' ' ' SER . 11.1 ttpt -78.97 -40.9 30.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.564 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 9.9 t -60.84 -59.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.391 -0.818 . . . . 0.0 109.291 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.676 ' HB3' HG23 ' A' ' 43' ' ' ILE . 2.9 tp10 -48.59 -37.28 17.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.43 -0.794 . . . . 0.0 109.304 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.745 HD13 ' CH2' ' A' ' 15' ' ' TRP . 3.3 tp -71.08 -47.82 56.11 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 57' ' ' CYS . 23.3 m -56.05 -28.35 57.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.449 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.446 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.8 mtt180 -64.54 -55.74 18.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.407 -0.808 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 10.5 t80 -54.34 -25.15 22.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -0.821 . . . . 0.0 109.771 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.845 ' CD1' HD11 ' A' ' 59' ' ' LEU . 16.1 mt -88.92 -18.31 27.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.517 -0.739 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.8 156.15 8.84 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.15 -11.54 31.88 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.827 1.435 . . . . 0.0 110.627 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.89 26.69 9.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 109.987 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.853 ' O ' HG23 ' A' ' 50' ' ' THR . 8.1 m -115.21 77.97 1.12 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.26 166.83 20.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.852 . . . . 0.0 110.11 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.845 HD11 ' CD1' ' A' ' 53' ' ' LEU . 58.0 mt -143.91 65.69 1.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.819 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -17.89 54.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -0.788 . . . . 0.0 110.565 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.47 -34.08 17.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.639 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.695 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 36.3 t80 -63.68 119.34 9.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.207 -0.933 . . . . 0.0 110.143 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.36 143.1 32.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.405 -0.81 . . . . 0.0 110.214 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.429 ' CD1' ' OP2' ' C' ' 117' ' ' ' DC' . 57.6 t80 -82.93 -33.31 26.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.202 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -85.22 -30.75 23.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.27 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -95.91 -39.21 9.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.94 44.49 36.81 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.822 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -144.5 160.1 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.386 -1.067 . . . . 0.0 110.196 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.466 HD13 ' HE1' ' A' ' 71' ' ' TYR . 3.9 mt -93.0 80.23 4.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.368 -0.832 . . . . 0.0 109.748 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.4 t -52.2 -22.12 4.03 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.358 -0.839 . . . . 0.0 110.777 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.466 ' HE1' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER 58.98 166.03 0.08 OUTLIER Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.207 -0.933 . . . . 0.0 110.315 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.461 ' HD2' ' CD2' ' A' ' 71' ' ' TYR . 44.8 Cg_endo -73.05 91.02 0.84 Allowed 'Trans proline' 0 C--N 1.309 -1.506 0 O-C-N 123.902 1.475 . . . . 0.0 110.382 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.75 75.86 30.31 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.31 -0.869 . . . . 0.0 110.197 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.72 111.79 3.33 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 O-C-N 123.697 1.367 . . . . 0.0 110.405 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.495 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.742 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.765 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.918 0 O4'-C1'-N19 110.272 3.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.765 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.568 0 O4'-C1'-N19 110.882 3.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.496 " C2'" ' C6 ' ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C1'-N19 110.607 3.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.587 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.948 1 O4'-C1'-N19 111.191 4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.879 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.782 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.717 1 O4'-C1'-N19 111.291 4.363 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.881 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.881 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.857 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.168 0 O4'-C1'-N19 110.772 3.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.857 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.779 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C1'-N19 110.964 3.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.538 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.896 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.846 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.99 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.846 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.71 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.636 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.044 1 O4'-C1'-N19 111.002 4.003 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 1.05 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C4'--C3' 1.511 -1.748 1 O4'-C1'-N19 111.149 4.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.804 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.804 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.839 3.798 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.895 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.887 0 O4'-C1'-N19 110.765 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.895 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.771 0 O4'-C1'-N19 110.783 3.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.884 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.083 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.884 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.972 1 O4'-C1'-N19 111.017 4.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.469 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.795 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 121.423 0.63 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.18 95.71 6.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.496 -0.753 . . . . 0.0 109.947 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -71.25 0.08 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.557 -0.714 . . . . 0.0 110.999 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -168.21 122.48 0.93 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.237 -0.914 . . . . 0.0 110.559 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -114.04 117.46 31.35 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.422 -0.799 . . . . 0.0 110.03 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.12 160.47 16.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.29 -0.881 . . . . 0.0 110.257 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.59 165.05 10.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.144 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -144.95 84.9 8.54 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.402 -0.811 . . . . 0.0 109.845 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.879 1.463 . . . . 0.0 111.436 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.792 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -54.9 -25.56 29.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 110.782 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.779 HD21 ' HG ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -117.4 -69.53 0.85 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.372 -0.83 . . . . 0.0 110.514 -179.661 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.86 -170.93 36.39 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.18 110.95 3.16 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.881 1.464 . . . . 0.0 110.678 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.742 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.36 -39.72 1.4 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.705 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 83.1 m95 -60.58 149.62 34.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.509 -0.995 . . . . 0.0 111.193 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -136.6 153.34 50.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.433 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' NH2' ' CE2' ' A' ' 35' ' ' TYR . 44.7 ttm-85 -124.68 142.39 51.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.612 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -137.18 137.18 38.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.675 -0.641 . . . . 0.0 109.291 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.5 133.48 43.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 110.245 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 34' ' ' TYR . 11.2 t -118.18 103.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.4 -0.812 . . . . 0.0 110.215 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.77 49.0 1.68 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.388 -0.82 . . . . 0.0 109.918 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER 48.56 175.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 111.413 179.708 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HB2' " O3'" ' B' ' 105' ' ' ' DC' . 7.0 tppt? -139.38 -37.58 0.5 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.4 OUTLIER 169.92 -172.33 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.348 -0.845 . . . . 0.0 110.881 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -94.57 1.09 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.76 -44.39 0.16 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.674 -0.898 . . . . 0.0 108.9 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.607 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 63.2 p -75.06 -4.1 36.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.885 -0.509 . . . . 0.0 109.782 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 48.5 t -47.54 150.76 0.91 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.524 -0.735 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.56 -19.99 48.3 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 55.7 mtt-85 -83.86 160.44 21.15 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.052 -1.263 . . . . 0.0 110.481 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 35.9 p -122.96 95.64 4.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.437 -0.789 . . . . 0.0 110.214 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -99.93 129.44 46.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.482 HG22 ' CE2' ' A' ' 35' ' ' TYR . 16.0 m -99.05 128.57 45.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.842 . . . . 0.0 110.225 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.55 ' CD1' HG21 ' A' ' 20' ' ' VAL . 30.2 m-85 -108.53 154.23 22.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.485 -0.759 . . . . 0.0 109.621 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.503 ' CE2' ' NH2' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -140.16 148.42 41.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.062 -1.024 . . . . 0.0 110.827 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.16 151.32 25.56 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.525 -0.734 . . . . 0.0 109.755 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.539 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.2 p -56.78 -174.48 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.446 -0.784 . . . . 0.0 110.226 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.742 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.7 Cg_endo -83.64 -12.06 8.95 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.429 1.226 . . . . 0.0 111.71 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -167.65 39.7 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.41 -1.316 . . . . 0.0 112.623 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 123.55 86.05 0.73 Allowed Glycine 0 N--CA 1.495 2.592 0 C-N-CA 119.394 -1.384 . . . . 0.0 111.717 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.539 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 164.73 112.82 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.522 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -79.89 119.56 22.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.322 -0.861 . . . . 0.0 111.078 -178.862 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.587 HG23 ' HB3' ' A' ' 48' ' ' GLU . 1.2 mp -110.96 145.85 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 6.5 mtt180 -126.52 -2.08 6.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.149 -0.97 . . . . 0.0 111.013 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -163.35 -162.19 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.009 -1.057 . . . . 0.0 110.564 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 11.7 ttpt -78.08 -47.27 18.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.535 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 6.9 t -52.91 -50.24 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 108.789 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.587 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.68 -36.61 57.43 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.207 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.962 HD23 HD13 ' A' ' 59' ' ' LEU . 4.1 tp -67.46 -41.94 83.86 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -64.47 -21.76 66.76 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.831 -0.543 . . . . 0.0 109.808 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -71.89 -57.13 4.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -0.844 . . . . 0.0 110.074 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.486 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 12.5 t80 -58.2 -33.56 69.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.337 -0.852 . . . . 0.0 110.031 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.907 ' CD1' HD11 ' A' ' 59' ' ' LEU . 13.9 mt -80.54 -15.94 55.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.447 -0.783 . . . . 0.0 110.506 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.87 156.67 17.92 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.77 -18.29 37.02 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 O-C-N 123.818 1.431 . . . . 0.0 110.44 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.32 24.6 6.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 0.0 109.994 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.8 m -131.44 92.5 3.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 110.163 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.68 166.07 21.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.32 -0.862 . . . . 0.0 110.324 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.962 HD13 HD23 ' A' ' 49' ' ' LEU . 96.0 mt -138.99 66.35 1.42 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 109.719 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -1.09 33.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.437 -0.789 . . . . 0.0 110.874 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.832 HD22 ' HA ' ' A' ' 71' ' ' TYR . 75.9 mt -115.49 3.24 14.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -0.996 . . . . 0.0 110.69 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.75 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 38.3 t80 -88.17 130.69 34.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 109.903 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -93.45 109.62 21.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -0.808 . . . . 0.0 109.871 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.71 -29.33 62.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.409 -0.807 . . . . 0.0 110.864 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -86.86 -47.07 9.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 111.179 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 13.6 mp0 -75.87 -54.58 6.69 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.792 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 99.56 51.77 1.28 Allowed Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.663 ' N ' ' HB2' ' A' ' 10' ' ' ALA . 5.6 pt -154.36 149.43 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -1.083 . . . . 0.0 110.169 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 10' ' ' ALA . 4.6 mt -98.07 78.93 2.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.9 -130.36 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.418 -0.801 . . . . 0.0 109.814 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.832 ' HA ' HD22 ' A' ' 61' ' ' LEU . 14.8 t80 -178.95 -57.59 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.004 -1.06 . . . . 0.0 110.424 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 71' ' ' TYR . 42.1 Cg_endo -65.8 170.22 11.78 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.398 1.21 . . . . 0.0 110.599 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.54 99.85 6.92 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.439 -0.788 . . . . 0.0 110.203 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.19 106.19 2.0 Allowed 'Trans proline' 0 C--N 1.31 -1.461 0 O-C-N 123.674 1.355 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.485 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.617 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.73 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.838 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.444 1.808 0 O4'-C1'-N19 110.572 3.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.838 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.755 1 O4'-C1'-N19 111.001 4.002 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.833 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C1'-N19 110.767 3.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.833 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.753 0 O4'-C1'-N19 110.954 3.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.812 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.65 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.825 1 O4'-C1'-N19 111.367 4.459 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.889 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.888 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.889 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.831 0 O4'-C1'-N19 110.679 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.902 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.873 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.902 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.822 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.482 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.781 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.464 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.746 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.847 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.054 0 O4'-C1'-N19 110.521 3.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.847 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C1'-N19 110.844 3.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.69 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.782 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.69 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.711 1 O4'-C1'-N19 111.074 4.092 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.864 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.864 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.871 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.848 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.76 0 O4'-C1'-N19 110.805 3.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.848 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.93 0 O4'-C1'-N19 110.722 3.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.845 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.988 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.845 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.445 1.891 1 O4'-C1'-N19 111.045 4.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.719 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.555 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 61.87 89.5 0.08 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.121 -0.987 . . . . 0.0 109.868 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -46.91 -75.55 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.692 -0.63 . . . . 0.0 110.651 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.26 89.36 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.331 -0.856 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -79.94 122.57 26.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.267 -0.896 . . . . 0.0 110.089 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 mt -110.49 160.18 16.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.417 -0.802 . . . . 0.0 110.278 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.35 -179.95 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.332 -0.855 . . . . 0.0 110.235 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.8 t -154.26 88.81 3.39 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.603 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.5 Cg_endo -71.38 -6.77 19.88 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.934 1.491 . . . . 0.0 111.412 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.766 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -57.28 -18.06 14.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.97 . . . . 0.0 110.816 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.9 HD22 ' CZ2' ' A' ' 15' ' ' TRP . 4.0 mp -128.52 -68.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.103 -0.998 . . . . 0.0 110.495 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.18 -156.79 17.5 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.99 142.7 31.67 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.86 1.453 . . . . 0.0 110.959 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 99.66 -32.78 6.83 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.9 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 61.6 m95 -65.07 140.38 58.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.37 -1.077 . . . . 0.0 111.45 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -133.72 141.88 47.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.685 -0.634 . . . . 0.0 109.395 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -127.54 142.76 51.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.166 -0.959 . . . . 0.0 110.747 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 5.1 tpt180 -141.16 150.18 42.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.414 -0.804 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.32 155.8 17.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 0.0 109.824 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -139.35 96.67 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.902 . . . . 0.0 109.856 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ARG . 27.7 t80 -79.74 48.74 0.97 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.174 -0.954 . . . . 0.0 110.719 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.631 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 49.61 176.86 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.297 -0.877 . . . . 0.0 110.89 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HB2' " O3'" ' B' ' 105' ' ' ' DC' . 1.2 tppt? -144.17 -31.92 0.44 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 110.687 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.51 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.1 OUTLIER 171.09 -179.31 0.05 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.302 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.99 -95.26 0.94 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.66 -43.08 0.21 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.695 -0.886 . . . . 0.0 108.641 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.543 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 44.4 p -74.41 -2.37 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.872 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.631 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.67 136.66 3.32 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.477 -0.765 . . . . 0.0 111.599 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.21 -16.63 32.33 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.103 -1.046 . . . . 0.0 110.575 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 26.7 mtt180 -84.08 164.05 19.47 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.109 -1.23 . . . . 0.0 110.467 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 1.3 t -126.58 107.68 10.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -108.85 127.37 53.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 110.091 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.53 HG22 ' CE2' ' A' ' 35' ' ' TYR . 46.9 m -98.87 123.2 42.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.416 -0.802 . . . . 0.0 109.942 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CD1' HG21 ' A' ' 20' ' ' VAL . 72.0 m-85 -109.47 154.43 22.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.464 -0.772 . . . . 0.0 109.898 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.53 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -140.21 151.34 45.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.355 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -112.11 147.69 35.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.377 -0.827 . . . . 0.0 109.348 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 41' ' ' ASP . 32.4 p -53.97 179.57 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.324 -0.86 . . . . 0.0 109.987 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.2 Cg_endo -85.74 -1.08 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 123.421 1.222 . . . . 0.0 111.805 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.04 15.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.948 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 140.54 82.52 0.08 OUTLIER Glycine 0 N--CA 1.496 2.667 0 C-N-CA 118.828 -1.653 . . . . 0.0 112.069 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.32 113.64 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.663 -0.904 . . . . 0.0 109.087 178.024 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.4 mmm-85 -79.7 116.42 19.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.276 -0.89 . . . . 0.0 111.034 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.808 HG21 HD12 ' A' ' 49' ' ' LEU . 48.3 mm -105.53 151.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.63 -0.669 . . . . 0.0 109.267 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.542 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -126.97 -24.25 3.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 111.112 -179.143 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.443 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 1.4 m -142.09 -160.26 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.982 . . . . 0.0 110.603 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 11.9 ttpt -80.15 -46.54 16.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.216 -0.927 . . . . 0.0 110.043 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.513 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 29.2 t -55.18 -53.38 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.948 . . . . 0.0 109.266 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.795 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.27 -37.97 38.73 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.771 0.796 . . . . 0.0 108.877 178.759 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.895 HD21 HD21 ' A' ' 11' ' ' LEU . 1.4 tp -69.22 -47.56 64.43 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.0 m -61.19 -17.29 52.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.744 -0.597 . . . . 0.0 110.282 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.3 mtm180 -79.06 -61.3 2.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.264 -0.897 . . . . 0.0 110.491 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 2.8 t80 -57.55 -20.63 33.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.369 -0.832 . . . . 0.0 110.695 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.615 HD11 HD23 ' A' ' 11' ' ' LEU . 42.6 mt -93.08 -3.47 54.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.225 -0.922 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.61 157.9 33.69 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.49 -22.81 24.25 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 O-C-N 123.831 1.437 . . . . 0.0 110.506 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.32 -10.51 59.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.304 -0.872 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.32 82.82 1.79 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 110.441 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.56 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.3 m-20 -71.85 159.83 33.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 110.014 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.88 HD13 HD23 ' A' ' 49' ' ' LEU . 89.7 mt -138.36 67.04 1.42 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 0.0 110.048 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.86 1.68 38.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.375 -0.828 . . . . 0.0 110.575 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -112.38 -24.44 9.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.154 -0.966 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.737 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 51.4 t80 -55.41 144.53 25.18 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.363 -0.836 . . . . 0.0 110.355 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.6 t70 -110.25 119.77 40.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.507 -0.746 . . . . 0.0 109.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HE2' ' HG ' ' A' ' 45' ' ' SER . 33.0 t80 -67.4 -32.66 73.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.611 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.66 22.06 3.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.428 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 52.0 mt-30 -151.06 -41.03 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.106 -0.997 . . . . 0.0 110.394 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 83.03 53.35 3.51 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.766 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 1.8 pp -156.06 159.42 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.519 -0.989 . . . . 0.0 110.351 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.591 ' O ' ' C ' ' A' ' 70' ' ' CYS . 5.2 mt -98.53 79.26 2.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.464 -0.772 . . . . 0.0 110.009 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.591 ' C ' ' O ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -8.23 -70.23 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 35.1 p90 -162.73 117.82 1.19 Allowed Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.169 -0.957 . . . . 0.0 110.47 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.46 -19.24 19.47 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.62 1.326 . . . . 0.0 110.296 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.85 ' HB3' ' HD3' ' A' ' 74' ' ' PRO . . . -172.24 -59.86 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.351 -0.843 . . . . 0.0 110.343 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.85 ' HD3' ' HB3' ' A' ' 73' ' ' ALA . 46.1 Cg_endo -71.99 131.46 18.21 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 123.382 1.201 . . . . 0.0 110.396 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.267 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.451 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.817 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.821 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.998 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.821 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.704 0 O4'-C1'-N19 110.941 3.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.838 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C1'-N19 110.613 3.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.838 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.723 1 O4'-C1'-N19 111.12 4.15 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.819 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.802 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.82 1 O4'-C1'-N19 111.269 4.336 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.912 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.965 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.912 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.928 0 O4'-C1'-N19 110.787 3.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.868 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.735 3.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.868 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.786 1 O4'-C1'-N19 111.033 4.041 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.456 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.713 0 O4'-C1'-N19 110.998 3.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.438 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.638 0 O4'-C1'-N19 110.836 3.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.852 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.959 0 O4'-C1'-N19 110.746 3.682 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.852 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.795 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.53 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.722 0 O4'-C1'-N19 110.694 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.577 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 P--O5' 1.61 1.694 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.886 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.886 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.828 1 O4'-C1'-N19 111.019 4.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.86 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.814 0 O4'-C1'-N19 110.741 3.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.86 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.876 0 O4'-C1'-N19 110.765 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.837 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C1'-N19 110.748 3.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.837 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.773 0 O4'-C1'-N19 110.772 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.458 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.798 0 O4'-C1'-N19 110.948 3.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.204 0.526 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.5 -44.34 58.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.383 -0.823 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 77.2 mm-40 -107.59 -12.59 15.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.378 -0.826 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.9 OUTLIER 58.62 121.6 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.518 -0.739 . . . . 0.0 110.899 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -80.89 131.73 35.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.32 -0.863 . . . . 0.0 110.058 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -105.99 160.37 15.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.097 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -58.6 170.73 0.72 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.201 -0.937 . . . . 0.0 110.108 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.0 t -153.56 88.93 3.59 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.2 -0.937 . . . . 0.0 110.127 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.4 Cg_endo -73.55 -5.27 16.82 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 O-C-N 123.973 1.512 . . . . 0.0 111.44 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.766 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -58.89 -16.51 17.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.917 . . . . 0.0 111.116 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.861 HD11 HD21 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -129.69 -64.71 0.87 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.001 -1.062 . . . . 0.0 110.613 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.34 -163.74 29.81 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.64 146.39 43.48 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.97 1.511 . . . . 0.0 110.556 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.706 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 96.52 -32.9 6.06 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.779 ' CE3' HD13 ' A' ' 11' ' ' LEU . 39.3 m95 -60.88 143.83 54.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.424 -1.045 . . . . 0.0 111.41 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -137.42 149.57 47.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.614 -0.679 . . . . 0.0 109.801 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -130.88 150.3 52.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.207 -0.933 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 136.35 34.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.48 -0.762 . . . . 0.0 109.852 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.56 135.48 40.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.85 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.1 t -120.58 100.78 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.441 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.07 45.97 1.23 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.223 -0.923 . . . . 0.0 110.047 179.704 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.623 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 50.12 171.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.504 -0.748 . . . . 0.0 111.22 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HB2' " O3'" ' B' ' 105' ' ' ' DC' . 1.1 tppt? -140.26 -32.95 0.58 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 110.672 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.51 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 1.8 p 171.69 -173.56 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.12 -0.987 . . . . 0.0 111.254 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.76 -94.92 1.13 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.92 -41.5 0.21 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.691 -0.888 . . . . 0.0 108.732 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.567 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 41.1 p -76.37 -1.6 27.67 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.856 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.623 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.8 p -44.53 134.75 5.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.461 -0.775 . . . . 0.0 111.583 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.4 33.05 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.064 -1.065 . . . . 0.0 110.579 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.473 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 66.5 mtt85 -85.85 173.71 9.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.984 -1.304 . . . . 0.0 110.282 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 4.1 p -135.04 99.65 4.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.447 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 79.3 m-20 -99.96 126.37 46.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.376 -0.827 . . . . 0.0 110.137 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.642 HG22 ' CE2' ' A' ' 35' ' ' TYR . 40.2 m -99.24 125.24 44.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.501 -0.749 . . . . 0.0 110.13 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CD1' HG21 ' A' ' 20' ' ' VAL . 57.2 m-85 -109.38 155.94 20.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.526 -0.734 . . . . 0.0 109.928 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -140.28 153.11 46.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.508 -179.647 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -121.76 143.64 49.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.446 -0.784 . . . . 0.0 109.12 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.538 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 43.4 m -52.89 175.36 0.11 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.299 -0.876 . . . . 0.0 109.931 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.706 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.7 Cg_endo -83.53 1.05 9.17 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.389 1.205 . . . . 0.0 112.408 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.437 HG22 ' OH ' ' A' ' 52' ' ' TYR . 8.9 t -164.75 23.66 0.06 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 117.839 -1.544 . . . . 0.0 113.096 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 129.84 86.09 0.43 Allowed Glycine 0 N--CA 1.495 2.624 0 C-N-CA 119.036 -1.554 . . . . 0.0 111.937 177.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.481 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.3 OUTLIER 168.96 116.52 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.743 -0.857 . . . . 0.0 109.069 178.272 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.72 138.07 37.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.344 -0.847 . . . . 0.0 110.78 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.845 HG23 ' HB3' ' A' ' 48' ' ' GLU . 28.9 mt -138.28 152.53 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.587 -0.696 . . . . 0.0 109.187 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' CB ' H5A3 ' C' ' 118' ' ' 5CM . 16.2 mtt180 -133.46 -1.57 3.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.621 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.448 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 1.3 m -161.18 -165.61 1.38 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.694 -1.254 . . . . 0.0 111.519 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.507 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -70.47 -49.31 49.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.717 -0.615 . . . . 0.0 110.081 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.594 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 2.3 t -53.53 -56.99 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.965 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.845 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -49.52 -40.3 37.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.348 -0.845 . . . . 0.0 109.285 179.031 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.974 HD23 HD13 ' A' ' 59' ' ' LEU . 1.8 tp -63.79 -39.32 93.96 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 90.8 m -69.4 -13.91 62.62 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.877 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 7.5 mmt180 -77.47 -59.27 2.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.185 -0.947 . . . . 0.0 109.996 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 12.6 t80 -56.89 -37.14 70.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.34 -0.85 . . . . 0.0 110.082 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.965 ' CD1' HD11 ' A' ' 59' ' ' LEU . 17.9 mt -75.47 -6.28 49.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.485 -0.759 . . . . 0.0 110.594 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.11 152.67 24.81 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.28 -26.88 20.33 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 O-C-N 123.77 1.405 . . . . 0.0 110.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.09 -17.81 48.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.25 -0.906 . . . . 0.0 110.247 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.54 137.82 32.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.266 -0.896 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -116.49 172.97 6.87 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.974 HD13 HD23 ' A' ' 49' ' ' LEU . 82.5 mt -141.34 52.66 1.55 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.486 -0.758 . . . . 0.0 110.007 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -15.62 58.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.332 -0.855 . . . . 0.0 110.697 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.719 HD13 ' O ' ' A' ' 71' ' ' TYR . 9.7 mt -102.09 13.21 35.36 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.152 -0.968 . . . . 0.0 110.66 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.743 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 42.4 t80 -107.35 113.78 27.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.121 -0.987 . . . . 0.0 110.292 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 66' ' ' GLN . 1.3 m-20 -82.21 116.23 21.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.525 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -50.04 -58.1 6.22 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.361 -0.837 . . . . 0.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -59.11 -55.22 37.84 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.207 -0.933 . . . . 0.0 110.722 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 1.6 mm100 -59.28 -56.51 21.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.206 -0.934 . . . . 0.0 110.603 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.1 40.93 6.4 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.766 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pp -149.03 171.11 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.53 -0.983 . . . . 0.0 110.236 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 61' ' ' LEU . 5.3 mt -104.36 82.85 1.98 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.492 -0.755 . . . . 0.0 109.776 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.5 p -43.41 -30.03 0.5 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.63 -0.669 . . . . 0.0 111.12 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.719 ' O ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -148.53 107.87 3.56 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.855 . . . . 0.0 110.039 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.82 -34.28 9.02 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.69 1.363 . . . . 0.0 110.439 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.26 158.63 86.18 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.34 -0.85 . . . . 0.0 110.105 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.82 128.73 13.58 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 O-C-N 123.796 1.419 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.414 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.48 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.84 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C1'-N19 110.428 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.84 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.652 0 O4'-C1'-N19 110.825 3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.846 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.883 0 O4'-C1'-N19 110.512 3.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.846 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.862 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.82 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.442 1.707 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.862 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.833 1 O4'-C1'-N19 111.051 4.064 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.862 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.869 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.863 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.987 0 O4'-C1'-N19 110.654 3.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.863 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.798 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.49 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.823 0 O4'-C1'-N19 110.959 3.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.481 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.718 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.856 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.927 0 O4'-C1'-N19 110.522 3.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.856 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.767 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.547 ' C4 ' ' N4 ' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.839 0 O4'-C1'-N19 110.369 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.777 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.795 1 O4'-C1'-N19 111.69 4.863 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.854 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.854 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.868 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.866 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.825 0 O4'-C1'-N19 110.764 3.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.866 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.773 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.863 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.114 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.863 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.461 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C1'-N19 110.896 3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 121.151 0.5 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.604 ' HB3' ' HD2' ' A' ' 18' ' ' ARG . . . -60.64 -79.38 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.31 -0.869 . . . . 0.0 110.034 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -115.13 -28.55 6.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.306 -0.871 . . . . 0.0 109.692 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 p30 172.6 81.44 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.686 -0.633 . . . . 0.0 110.293 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.465 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 7.4 m95 -82.44 101.85 10.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.178 -0.951 . . . . 0.0 109.91 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.0 mt -99.62 160.29 14.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -0.818 . . . . 0.0 109.85 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.33 177.69 0.25 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.98 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.42 87.62 4.84 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 109.82 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.659 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.8 Cg_endo -72.56 -6.87 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.921 1.485 . . . . 0.0 111.323 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.824 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -56.95 -19.49 18.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.173 -0.954 . . . . 0.0 110.919 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' CD2' HD11 ' A' ' 53' ' ' LEU . 1.3 mp -129.09 -66.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.167 -0.958 . . . . 0.0 110.799 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.97 -169.59 36.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.17 109.94 3.02 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.886 1.466 . . . . 0.0 110.767 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.795 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 144.57 -39.59 1.21 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.725 ' CH2' HD12 ' A' ' 49' ' ' LEU . 67.7 m95 -65.18 136.62 56.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.503 -0.998 . . . . 0.0 111.066 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -122.74 146.88 47.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.57 -0.707 . . . . 0.0 109.547 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -119.24 146.35 45.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.406 -0.809 . . . . 0.0 110.349 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.604 ' HD2' ' HB3' ' A' ' 2' ' ' ALA . 1.3 ttp-105 -139.96 135.23 32.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.503 -0.748 . . . . 0.0 109.687 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.58 125.71 45.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.311 -0.868 . . . . 0.0 110.249 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 34' ' ' TYR . 18.1 t -110.06 99.57 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.423 -0.798 . . . . 0.0 110.023 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -83.63 45.38 1.05 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.277 -0.889 . . . . 0.0 110.594 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 50.38 172.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.658 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -138.63 -33.02 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.129 -0.982 . . . . 0.0 110.683 179.729 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.7 p 164.83 -169.85 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.392 -0.817 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -93.24 0.96 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HB3' ' OP1' ' B' ' 107' ' ' ' DG' . . . -150.21 12.94 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.782 -0.834 . . . . 0.0 109.789 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.481 HG22 ' NH2' ' A' ' 30' ' ' ARG . 18.0 p -139.23 11.82 2.58 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.53 -0.731 . . . . 0.0 109.594 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.57 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 3.6 t -51.34 130.07 26.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.45 -0.781 . . . . 0.0 111.284 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.43 -16.61 16.99 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.816 -1.183 . . . . 0.0 111.02 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.567 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 87.1 mtt180 -82.38 158.35 23.37 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.875 -1.368 . . . . 0.0 110.168 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 25.5 p -124.71 104.07 8.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.476 -0.765 . . . . 0.0 110.731 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.424 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 6.7 m-20 -103.98 126.58 51.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.86 . . . . 0.0 109.76 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.651 HG22 ' CE2' ' A' ' 35' ' ' TYR . 60.4 m -98.71 121.6 40.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 110.215 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CD1' HG21 ' A' ' 20' ' ' VAL . 65.7 m-85 -105.81 156.68 18.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.507 -0.745 . . . . 0.0 109.734 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.651 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -140.49 143.66 35.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.158 -0.964 . . . . 0.0 110.741 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 38.8 tt0 -107.22 149.09 28.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 109.171 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.551 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -51.49 -178.96 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.501 -0.749 . . . . 0.0 110.901 -179.585 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.795 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.2 Cg_endo -83.52 -9.72 10.06 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 O-C-N 123.739 1.389 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 t -166.68 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.665 -1.214 . . . . 0.0 112.497 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.52 84.56 0.1 Allowed Glycine 0 N--CA 1.497 2.741 0 C-N-CA 119.014 -1.565 . . . . 0.0 112.048 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.551 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.2 OUTLIER 172.8 121.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.523 -0.987 . . . . 0.0 109.105 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.769 ' O ' HD12 ' A' ' 43' ' ' ILE . 4.4 mmt180 -79.79 128.11 33.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.264 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 42' ' ' ARG . 1.2 mp -129.27 147.66 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -134.28 7.15 3.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.949 . . . . 0.0 110.994 -179.453 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 1.081 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -169.94 -171.99 1.27 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.018 -1.051 . . . . 0.0 110.553 -179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 17.9 ttpt -73.84 -42.29 61.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.851 . . . . 0.0 108.746 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 37.9 t -59.55 -54.12 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -51.76 -38.9 57.36 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.302 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.725 HD12 ' CH2' ' A' ' 15' ' ' TRP . 12.1 tp -66.31 -47.47 73.47 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -61.97 -17.48 57.14 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.795 -0.566 . . . . 0.0 110.077 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -75.81 -60.15 2.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 4.4 t80 -60.42 -19.88 57.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.055 -1.028 . . . . 0.0 110.073 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 ' CD2' ' A' ' 11' ' ' LEU . 26.4 mt -96.09 -15.37 22.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 110.288 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.28 155.32 23.49 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.98 -31.01 15.77 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 O-C-N 123.781 1.411 . . . . 0.0 110.119 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.48 62.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 109.865 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.92 54.45 2.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.473 -0.767 . . . . 0.0 110.093 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.7 p-10 -51.94 171.18 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -0.851 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.648 ' CD1' HD23 ' A' ' 49' ' ' LEU . 97.3 mt -145.2 63.75 1.28 Allowed 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.567 -0.708 . . . . 0.0 109.814 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -13.35 61.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.525 -0.735 . . . . 0.0 110.834 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.52 -28.85 13.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.184 -0.947 . . . . 0.0 110.444 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.647 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 33.5 t80 -58.38 111.27 1.17 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.266 -0.896 . . . . 0.0 110.198 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.22 132.14 35.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CD2' ' OP2' ' C' ' 117' ' ' ' DC' . 46.6 t80 -68.28 -28.57 67.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.377 -0.827 . . . . 0.0 110.474 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -90.17 -31.68 16.95 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -96.01 -42.58 8.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.139 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.824 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 65.1 67.11 2.15 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.659 HG22 ' HG2' ' A' ' 9' ' ' PRO . 4.4 pt -156.13 24.33 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.387 -1.067 . . . . 0.0 110.767 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 10' ' ' ALA . 2.7 mt 51.83 31.64 8.55 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.185 -0.947 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 t 63.65 -67.63 0.1 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.738 -0.601 . . . . 0.0 110.632 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' LEU . 2.1 t80 54.15 57.98 12.54 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.225 -0.922 . . . . 0.0 110.151 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.18 -44.97 0.71 Allowed 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.866 1.456 . . . . 0.0 110.532 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.51 133.55 20.13 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.39 -0.819 . . . . 0.0 110.105 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.42 135.52 22.44 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.58 1.305 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.2 tttt . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.253 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.469 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.712 0 O4'-C1'-N19 110.854 3.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.847 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.949 0 O4'-C1'-N19 110.466 3.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.847 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.77 0 O4'-C1'-N19 110.92 3.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.851 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.89 0 O4'-C1'-N19 110.662 3.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.851 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.701 1 O4'-C1'-N19 111.097 4.121 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.869 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.71 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.7 1 O4'-C1'-N19 111.255 4.318 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.891 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.891 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.872 0 O4'-C1'-N19 110.749 3.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.889 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.072 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.889 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.938 1 O4'-C1'-N19 111.03 4.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.415 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.779 0 O4'-C1'-N19 110.918 3.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.483 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.776 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.856 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.935 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.856 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.64 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.595 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.949 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 1.081 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.526 1.829 1 O4'-C1'-N19 111.225 4.281 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.876 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.876 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.884 0 O4'-C1'-N19 110.981 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.899 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.81 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.899 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.82 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.864 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.864 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C1'-N19 110.904 3.88 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.467 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.524 1.683 0 O4'-C1'-N19 110.988 3.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.9 0 CA-C-O 121.373 0.606 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' A' ' 5' ' ' TRP . . . 53.25 27.34 5.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.289 -0.882 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 54.66 22.49 4.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.34 -0.85 . . . . 0.0 110.773 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t70 62.44 96.67 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.207 -0.933 . . . . 0.0 110.697 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.536 ' CD1' ' HB1' ' A' ' 2' ' ' ALA . 26.5 m95 -81.52 164.62 21.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.273 -0.892 . . . . 0.0 110.216 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt -132.93 160.72 36.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.413 -0.804 . . . . 0.0 110.181 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -64.35 174.17 1.76 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.299 -0.876 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.3 t -150.2 87.11 5.03 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.399 -0.813 . . . . 0.0 109.852 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.0 Cg_endo -72.66 -6.32 18.81 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.893 1.47 . . . . 0.0 111.456 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.874 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -62.61 -13.25 29.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.122 -0.986 . . . . 0.0 110.977 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.653 HD13 ' CD2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -131.19 -66.38 0.74 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.067 . . . . 0.0 110.731 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.5 -166.51 35.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.49 105.94 2.15 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.799 1.421 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.835 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 145.81 -36.57 1.32 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.653 ' CD2' HD13 ' A' ' 11' ' ' LEU . 66.0 m95 -68.9 144.19 54.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.52 -0.988 . . . . 0.0 111.084 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 6.2 mptt -133.08 149.49 52.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.586 -0.696 . . . . 0.0 109.409 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HD3' ' HA3' ' A' ' 67' ' ' GLY . 29.0 ttp85 -131.97 138.65 48.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.847 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 4.9 tpt180 -137.21 140.32 41.65 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.49 144.8 28.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.5 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 34' ' ' TYR . 15.2 t -126.37 102.65 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.529 -0.732 . . . . 0.0 109.915 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -81.83 52.52 1.95 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.147 -0.971 . . . . 0.0 110.329 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.594 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.3 OUTLIER 47.43 -179.14 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.782 0.801 . . . . 0.0 111.38 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.8 tmmt? -136.96 -40.14 0.6 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.536 -0.728 . . . . 0.0 109.679 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 165.28 -178.95 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.498 -0.751 . . . . 0.0 110.647 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 111.76 -95.33 0.8 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.62 -43.6 0.4 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.692 -0.887 . . . . 0.0 108.911 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.662 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 74.4 p -77.52 -0.76 27.41 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.933 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 47.0 t -44.51 141.24 2.03 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.43 -0.794 . . . . 0.0 111.515 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.99 -15.25 59.54 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.537 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.2 mpt_? -83.32 136.83 34.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.246 -1.149 . . . . 0.0 109.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 p -99.95 103.01 14.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.351 -0.843 . . . . 0.0 110.544 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.448 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.3 m-20 -99.67 120.51 39.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.639 HG22 ' CE2' ' A' ' 35' ' ' TYR . 91.4 m -98.86 125.94 44.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CD1' HG21 ' A' ' 20' ' ' VAL . 52.6 m-85 -107.21 157.0 18.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.567 -0.708 . . . . 0.0 109.626 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.639 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.6 OUTLIER -139.16 160.43 39.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.151 -0.968 . . . . 0.0 110.622 -179.105 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -124.5 144.99 49.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.76 . . . . 0.0 109.868 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 41' ' ' ASP . 4.8 p -51.89 178.24 0.05 OUTLIER Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.586 -0.697 . . . . 0.0 110.187 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.835 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.0 Cg_endo -83.93 -0.92 9.8 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.217 1.114 . . . . 0.0 111.493 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -167.22 19.24 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.296 -1.362 . . . . 0.0 113.195 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 140.56 86.43 0.11 Allowed Glycine 0 N--CA 1.5 2.905 0 C-N-CA 118.817 -1.659 . . . . 0.0 112.115 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.589 ' N ' ' OG ' ' A' ' 37' ' ' SER . 0.2 OUTLIER 169.66 135.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.636 -0.92 . . . . 0.0 109.458 178.502 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -95.08 110.89 22.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.858 . . . . 0.0 110.556 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.3 mp -101.7 139.41 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.348 -0.845 . . . . 0.0 109.323 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.633 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 57.7 mtt180 -120.4 -0.72 10.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 110.697 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.539 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.5 OUTLIER -168.65 -156.92 0.18 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.11 -0.994 . . . . 0.0 110.369 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.794 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.2 ttpt -80.09 -44.07 20.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.24 -0.912 . . . . 0.0 110.195 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.568 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 25.5 t -61.3 -44.2 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.327 -0.858 . . . . 0.0 110.096 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -56.53 -45.81 80.93 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.264 -0.898 . . . . 0.0 110.277 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.046 HD21 HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -75.86 -38.78 57.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.384 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.528 ' N ' HD23 ' A' ' 49' ' ' LEU . 53.5 m -59.31 -51.11 71.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -0.782 . . . . 0.0 110.111 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.248 -0.907 . . . . 0.0 110.527 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CE1' ' CG ' ' A' ' 41' ' ' ASP . 5.7 t80 -65.07 -24.65 67.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.8 -1.187 . . . . 0.0 109.614 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.499 ' CD1' HD11 ' A' ' 59' ' ' LEU . 18.4 mt -93.69 4.03 54.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.421 -0.799 . . . . 0.0 110.253 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.22 153.96 9.66 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.15 -28.38 23.43 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.813 1.428 . . . . 0.0 109.942 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.53 15.95 27.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.476 -0.765 . . . . 0.0 109.952 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -101.55 49.3 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.314 -0.866 . . . . 0.0 110.092 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.6 m-20 -57.38 168.57 0.75 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 0.0 110.272 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.046 HD12 HD21 ' A' ' 49' ' ' LEU . 92.3 mt -140.48 64.99 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.904 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -27.94 66.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.413 -0.805 . . . . 0.0 110.219 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.27 -31.0 43.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.607 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 18.7 t80 -65.15 116.94 7.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.237 -0.914 . . . . 0.0 109.864 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 0.9 OUTLIER -86.23 129.16 34.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 109.62 179.6 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.54 -61.72 2.41 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 110.329 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -57.24 13.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.234 -0.916 . . . . 0.0 110.797 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' HB3' ' CG1' ' A' ' 68' ' ' ILE . 31.2 mt-30 -61.99 -49.49 75.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 110.553 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 76.94 48.49 8.46 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.874 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -154.17 157.46 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.51 -0.994 . . . . 0.0 110.236 -179.651 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 69' ' ' LEU . 6.8 mt -93.27 83.18 4.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.381 -0.825 . . . . 0.0 109.608 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 47.7 m -44.41 -63.92 0.79 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.581 -0.699 . . . . 0.0 110.972 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.6 t80 51.62 70.08 2.15 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.298 -0.876 . . . . 0.0 110.401 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.64 -48.93 0.28 Allowed 'Trans proline' 0 C--N 1.309 -1.553 0 O-C-N 123.787 1.414 . . . . 0.0 110.475 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.94 134.86 55.93 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.356 -0.84 . . . . 0.0 110.115 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -74.69 -41.82 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.658 1.346 . . . . 0.0 110.347 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.212 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.457 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.852 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.842 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.852 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.688 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.853 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.995 0 O4'-C1'-N19 110.583 3.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.853 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.75 0 O4'-C1'-N19 110.984 3.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.879 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.794 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.703 1 O4'-C1'-N19 111.219 4.274 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.857 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.864 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.857 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.836 0 O4'-C1'-N19 110.62 3.525 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.868 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.868 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.878 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.449 ' C6 ' H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.82 0 O4'-C1'-N19 110.907 3.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.432 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.724 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.841 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C1'-N19 110.433 3.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.841 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.716 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.669 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.864 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.669 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.763 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.861 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.861 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.844 0 O4'-C1'-N19 110.963 3.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.883 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.742 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.883 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.873 0 O4'-C1'-N19 110.769 3.711 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.868 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.88 0 O4'-C1'-N19 110.876 3.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.868 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.896 1 O4'-C1'-N19 111.056 4.071 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.473 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.737 0 O4'-C1'-N19 110.902 3.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttm . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.199 0.523 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . 52.38 32.97 12.0 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.292 -0.88 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.96 -80.68 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.584 -0.698 . . . . 0.0 110.314 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 2' ' ' ALA . 9.9 t70 -174.04 83.38 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.288 -0.883 . . . . 0.0 110.315 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 3.3 m95 -87.38 121.34 29.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.085 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -118.1 160.5 21.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.443 -0.786 . . . . 0.0 110.23 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -71.54 153.3 42.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.881 . . . . 0.0 110.674 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -131.35 80.64 67.33 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.596 -0.69 . . . . 0.0 109.303 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.99 -5.62 17.39 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 O-C-N 123.986 1.519 . . . . 0.0 112.049 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -53.52 -47.16 70.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.961 -1.087 . . . . 0.0 110.585 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD11 HD21 ' A' ' 49' ' ' LEU . 1.6 mp -94.05 -66.24 0.93 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.808 . . . . 0.0 110.521 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.02 -171.5 37.77 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.9 105.63 2.11 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.947 1.499 . . . . 0.0 110.793 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.784 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.28 -28.74 0.71 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.54 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 71.4 m95 -75.31 154.93 37.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.437 -1.037 . . . . 0.0 111.936 -178.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -140.3 154.14 46.7 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.229 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 8.8 ttp180 -123.54 140.79 52.64 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 110.82 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 5' ' ' TRP . 16.7 ttp180 -140.62 135.31 31.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.66 -0.65 . . . . 0.0 109.445 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.46 139.98 34.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 109.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.578 HG21 ' CD1' ' A' ' 34' ' ' TYR . 6.8 t -125.82 101.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.496 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 0.6 OUTLIER -85.74 48.53 1.61 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.587 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER 49.64 178.33 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.45 -0.781 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' SER . 16.9 ttpt -138.78 -35.58 0.57 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 110.108 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.5 t 161.37 -171.52 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.644 -0.66 . . . . 0.0 110.116 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.502 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.3 -61.96 0.31 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -178.89 -39.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.568 -0.96 . . . . 0.0 108.565 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.662 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 22.1 p -82.72 3.31 29.7 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.171 0.51 . . . . 0.0 109.67 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.2 t -45.32 136.1 5.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.725 . . . . 0.0 111.773 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.85 -19.1 28.48 Favored Glycine 0 N--CA 1.495 2.583 0 C-N-CA 120.046 -1.074 . . . . 0.0 110.967 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.525 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 11.4 mtp180 -78.68 146.19 34.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.94 -1.33 . . . . 0.0 110.448 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 90.1 p -118.46 98.3 6.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.421 -0.799 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -105.25 135.53 46.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 110.149 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.412 HG21 ' OH ' ' A' ' 35' ' ' TYR . 1.9 m -99.47 127.51 45.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 110.026 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.578 ' CD1' HG21 ' A' ' 20' ' ' VAL . 28.2 m-85 -109.79 136.39 49.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.531 -0.731 . . . . 0.0 109.489 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 30.5 m-85 -121.79 145.11 48.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.237 -0.914 . . . . 0.0 110.667 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 15' ' ' TRP . 24.8 tt0 -99.91 141.83 32.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 108.799 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.514 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 5.1 p -55.19 -174.66 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.488 -0.757 . . . . 0.0 110.185 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.784 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.3 Cg_endo -81.36 -14.9 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.409 1.215 . . . . 0.0 110.993 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.42 44.19 0.06 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.493 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 121.62 92.66 1.21 Allowed Glycine 0 N--CA 1.497 2.753 0 C-N-CA 119.583 -1.294 . . . . 0.0 112.104 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER 154.79 131.55 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -100.26 129.36 46.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 0.0 110.786 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 48' ' ' GLU . 1.2 mp -111.61 155.48 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.505 -0.747 . . . . 0.0 109.444 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' CB ' H5A3 ' C' ' 118' ' ' 5CM . 68.2 mtt180 -143.21 11.36 1.74 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.373 -0.829 . . . . 0.0 110.52 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 1.011 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -172.35 -168.5 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.033 -1.042 . . . . 0.0 110.541 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -75.65 -46.84 29.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.482 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 55.5 t -56.91 -49.24 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.569 -0.707 . . . . 0.0 109.3 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -51.32 -52.57 44.11 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.624 -0.672 . . . . 0.0 109.938 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.797 HD23 ' CD1' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -59.86 -42.97 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 108.955 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -61.66 -18.04 57.91 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.706 -0.622 . . . . 0.0 110.24 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.491 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt-85 -78.02 -61.63 1.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 11.4 t80 -54.26 -24.69 19.72 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.25 -0.906 . . . . 0.0 110.148 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.955 ' CD1' HD11 ' A' ' 59' ' ' LEU . 30.1 mt -86.46 -19.53 29.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.407 -0.808 . . . . 0.0 110.238 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.46 156.49 13.86 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.4 -19.94 32.42 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 O-C-N 123.843 1.443 . . . . 0.0 110.402 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.23 26.67 5.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 0.0 110.008 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.82 79.03 1.77 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.788 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -77.03 165.7 24.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.117 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.955 HD11 ' CD1' ' A' ' 53' ' ' LEU . 39.7 mt -138.12 59.87 1.64 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.848 . . . . 0.0 110.041 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -19.18 36.35 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.676 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 ' HD1' ' A' ' 71' ' ' TYR . 12.2 mt -97.08 7.62 46.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.181 -0.949 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.457 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 66.1 t80 -102.25 119.08 38.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.054 -1.029 . . . . 0.0 110.23 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.13 133.56 36.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.399 -0.813 . . . . 0.0 110.115 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 45' ' ' SER . 5.1 t80 -65.65 -28.94 69.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.424 -0.798 . . . . 0.0 110.293 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 -54.92 3.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 0.0 110.589 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.67 -53.35 59.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.266 -0.896 . . . . 0.0 110.462 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.413 ' HA2' ' CZ ' ' A' ' 62' ' ' PHE . . . 88.78 25.16 30.57 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.917 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.3 pp -134.45 155.1 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.367 -1.078 . . . . 0.0 110.247 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 10' ' ' ALA . 8.3 mt -94.64 81.98 3.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.35 79.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.537 -0.727 . . . . 0.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.532 ' HD1' HD13 ' A' ' 61' ' ' LEU . 57.7 t80 -100.72 142.93 25.57 Favored Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.448 -0.782 . . . . 0.0 109.99 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 71' ' ' TYR . 45.1 Cg_endo -71.59 91.01 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.613 1.323 . . . . 0.0 110.392 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.828 ' HB3' ' HD3' ' A' ' 74' ' ' PRO . . . -70.6 -55.19 7.55 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 121.406 -0.809 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.828 ' HD3' ' HB3' ' A' ' 73' ' ' ALA . 47.4 Cg_endo -73.81 -49.56 0.2 Allowed 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.553 1.291 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tptt . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.21 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.48 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.638 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.859 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C1'-N19 110.593 3.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.859 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.687 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.442 " C2'" ' C6 ' ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.614 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 P--O5' 1.61 1.738 0 O4'-C1'-N19 110.998 3.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.895 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.821 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.688 1 O4'-C1'-N19 111.169 4.211 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.884 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.012 1 O4'-C1'-N19 111.082 4.102 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.884 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.812 0 O4'-C1'-N19 110.805 3.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.868 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.943 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.868 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.78 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.478 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.683 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.46 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.754 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.808 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C1'-N19 110.482 3.352 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.808 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.659 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.632 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.78 1 O4'-C1'-N19 111.192 4.24 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 1.011 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.525 1.812 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.834 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.834 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C1'-N19 110.842 3.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.864 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.741 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.864 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.853 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.892 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.892 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.85 1 O4'-C1'-N19 111.121 4.152 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.476 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.726 0 O4'-C1'-N19 110.989 3.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.284 0.564 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.07 89.15 3.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.384 -0.823 . . . . 0.0 109.989 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 3.4 mp0 -52.39 -89.7 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.372 -0.83 . . . . 0.0 110.366 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 15.0 t0 176.91 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.251 -0.906 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.462 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 43.8 m95 -79.36 115.61 19.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 110.066 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -102.35 160.68 14.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.124 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.98 -173.95 0.42 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.334 -0.854 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -153.91 90.73 3.28 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.462 -0.774 . . . . 0.0 109.809 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.5 Cg_endo -75.51 0.9 8.58 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.835 1.439 . . . . 0.0 111.666 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -74.78 -3.85 34.15 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.005 -1.06 . . . . 0.0 111.26 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.581 ' CD2' HD11 ' A' ' 49' ' ' LEU . 4.3 mt -137.16 -61.53 0.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 110.553 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.21 -177.1 47.84 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.84 96.45 0.85 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.919 1.484 . . . . 0.0 110.48 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.83 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 161.76 -30.51 0.31 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.695 ' CH2' HD13 ' A' ' 49' ' ' LEU . 63.3 m95 -75.63 151.13 37.83 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.457 -1.025 . . . . 0.0 111.87 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 2.0 mmmm -137.03 129.92 30.61 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 20.1 ttp85 -109.14 138.35 45.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.222 -0.924 . . . . 0.0 110.926 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.1 tpt180 -140.32 137.55 34.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.675 -0.641 . . . . 0.0 109.435 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.59 133.0 44.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.229 -0.919 . . . . 0.0 110.25 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 31' ' ' SER . 15.6 t -111.35 104.71 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.562 -0.711 . . . . 0.0 109.974 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.9 t80 -84.68 45.86 1.19 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.11 -0.994 . . . . 0.0 110.516 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.632 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 49.9 173.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.431 -0.793 . . . . 0.0 110.905 179.772 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER -142.18 -34.31 0.46 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.037 -1.04 . . . . 0.0 110.827 179.752 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.553 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 14.5 t 172.73 -169.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.234 -0.916 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.464 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 102.39 -74.11 0.32 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.05 -39.18 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.458 HG21 " H2'" ' B' ' 107' ' ' ' DG' . 22.1 p -80.24 0.27 33.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.582 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.632 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 13.3 t -44.32 132.67 5.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.556 -0.715 . . . . 0.0 111.563 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.75 -14.82 26.82 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.924 -1.131 . . . . 0.0 110.841 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 2.8 mtt-85 -83.08 175.39 10.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.956 -1.32 . . . . 0.0 110.43 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 94.6 p -137.37 95.65 3.12 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.625 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.9 m-20 -100.99 124.8 47.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.462 -0.774 . . . . 0.0 109.94 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.59 HG22 ' CE2' ' A' ' 35' ' ' TYR . 81.2 m -98.37 128.81 44.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.325 -0.859 . . . . 0.0 110.237 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 44.0 m-85 -111.11 158.35 18.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.507 -0.746 . . . . 0.0 109.822 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CE2' HG22 ' A' ' 33' ' ' THR . 1.2 m-85 -140.18 140.05 35.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 110.729 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 5.3 tp60 -99.35 143.13 29.95 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.495 ' OG ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -52.1 -176.43 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.483 -0.761 . . . . 0.0 111.199 -179.12 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.83 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.5 Cg_endo -81.68 -18.79 7.81 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.578 1.304 . . . . 0.0 110.494 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -156.04 9.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 118.581 -1.248 . . . . 0.0 112.646 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.3 83.94 0.04 OUTLIER Glycine 0 N--CA 1.495 2.611 0 C-N-CA 118.697 -1.716 . . . . 0.0 112.021 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' OD2' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 174.14 116.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.482 -1.011 . . . . 0.0 109.47 177.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -79.75 118.78 21.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.327 -0.858 . . . . 0.0 110.918 -179.282 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 42' ' ' ARG . 1.3 mp -119.49 149.19 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.496 -0.753 . . . . 0.0 109.314 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.451 ' HB2' ' C5A' ' C' ' 118' ' ' 5CM . 0.7 OUTLIER -129.38 0.28 5.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 110.611 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 1.082 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -158.76 -170.5 3.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.027 -1.046 . . . . 0.0 110.74 -179.508 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' N ' ' OG ' ' A' ' 45' ' ' SER . 4.5 ttpt -77.51 -39.05 47.56 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.522 -0.736 . . . . 0.0 109.04 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.515 HG23 H5'' ' C' ' 117' ' ' ' DC' . 53.3 t -63.76 -48.62 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -0.774 . . . . 0.0 109.216 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.524 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -54.34 -39.98 67.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.409 -0.807 . . . . 0.0 109.132 179.168 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.695 HD13 ' CH2' ' A' ' 15' ' ' TRP . 15.5 tp -68.35 -44.95 74.15 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.3 m -59.88 -23.21 63.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.663 -0.648 . . . . 0.0 109.764 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -71.65 -58.59 3.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.354 -0.841 . . . . 0.0 110.527 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.495 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 2.8 t80 -57.01 -21.59 31.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 0.0 110.396 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.642 HD11 HD11 ' A' ' 49' ' ' LEU . 39.3 mt -92.07 -13.12 31.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.279 -0.888 . . . . 0.0 110.782 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.31 152.87 8.73 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.0 -20.3 38.59 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 O-C-N 123.707 1.372 . . . . 0.0 110.453 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.47 8.93 37.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.1 m -104.05 61.84 0.74 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.324 -0.86 . . . . 0.0 110.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 168.04 4.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.209 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 53' ' ' LEU . 95.1 mt -141.79 63.49 1.42 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.469 -0.769 . . . . 0.0 110.036 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -18.18 63.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 0.0 110.403 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.87 -27.04 21.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.225 -0.922 . . . . 0.0 110.361 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.422 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 20.0 t80 -67.34 122.01 16.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -85.68 137.83 32.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.368 -0.832 . . . . 0.0 109.84 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -76.76 -67.02 0.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.303 -0.873 . . . . 0.0 110.433 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -58.51 -21.96 53.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.322 -0.861 . . . . 0.0 110.75 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.535 ' OE1' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -100.61 -51.59 3.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.124 -0.985 . . . . 0.0 110.432 -179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 79.78 62.9 2.07 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.802 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -160.32 144.71 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.329 -1.101 . . . . 0.0 110.242 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 69' ' ' LEU . 10.8 mt -98.45 87.92 3.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.44 -0.788 . . . . 0.0 109.784 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -45.94 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.498 -0.751 . . . . 0.0 110.561 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 2.6 t80 56.7 106.52 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.354 -0.842 . . . . 0.0 110.648 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 71' ' ' TYR . 44.2 Cg_endo -70.72 121.48 7.96 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.505 1.266 . . . . 0.0 110.298 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.833 ' HB3' ' HD3' ' A' ' 74' ' ' PRO . . . -69.5 -54.99 10.06 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.405 -0.809 . . . . 0.0 110.586 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.833 ' HD3' ' HB3' ' A' ' 73' ' ' ALA . 46.4 Cg_endo -72.99 75.52 2.72 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.465 1.245 . . . . 0.0 110.593 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.515 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.56 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C1'-N19 110.723 3.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.631 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.443 1.78 0 O4'-C1'-N19 110.382 3.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.631 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.815 0 O4'-C1'-N19 110.894 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.495 " C2'" ' C6 ' ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.893 0 O4'-C1'-N19 110.623 3.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.595 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C1'-N19 111.186 4.233 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.818 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.751 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.875 1 O4'-C1'-N19 111.229 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.856 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.865 1 O4'-C1'-N19 111.096 4.12 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.856 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.821 0 O4'-C1'-N19 110.65 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.848 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.063 0 O4'-C1'-N19 110.787 3.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.848 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.777 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.481 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C1'-N19 110.882 3.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.475 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.739 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.475 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.795 0 O4'-C1'-N19 110.527 3.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.456 ' C2 ' ' C2 ' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.13 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.594 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.054 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 1.082 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.526 1.935 1 O4'-C1'-N19 111.133 4.166 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.863 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.863 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.851 1 O4'-C1'-N19 111.014 4.018 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.879 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.687 0 O4'-C1'-N19 110.83 3.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.879 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.822 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.766 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.766 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.853 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.458 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.665 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.216 0.531 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.528 ' HB2' H5'' ' B' ' 104' ' ' ' DT' . . . -114.49 -78.49 0.58 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.304 -0.873 . . . . 0.0 110.229 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -151.59 27.26 0.65 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.404 -0.81 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 t0 60.2 112.21 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.478 -0.764 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CZ2' ' HD3' ' A' ' 18' ' ' ARG . 61.3 m95 -79.75 136.26 36.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.362 -0.836 . . . . 0.0 110.047 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -116.63 160.27 20.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.357 -0.839 . . . . 0.0 110.107 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.23 167.2 0.69 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 110.166 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -147.97 85.85 6.34 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 110.417 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.1 Cg_endo -73.13 -6.99 19.91 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.84 1.442 . . . . 0.0 111.124 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.804 ' HB1' ' HD1' ' A' ' 62' ' ' PHE . . . -61.87 -12.66 18.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.295 -0.878 . . . . 0.0 110.97 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -128.42 -68.38 0.76 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 110.457 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.1 -169.72 39.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.8 95.34 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.856 1.451 . . . . 0.0 110.94 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.786 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.19 -29.82 0.72 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.906 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 77.8 m95 -73.4 154.26 40.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.629 -0.924 . . . . 0.0 111.773 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -137.25 160.01 40.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 56.3 ttp180 -129.2 141.39 51.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.149 -0.969 . . . . 0.0 110.934 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HD3' ' CZ2' ' A' ' 5' ' ' TRP . 2.4 ttp-105 -138.34 134.44 34.23 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.48 135.99 40.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 0.0 110.522 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 34' ' ' TYR . 25.4 t -122.08 95.72 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.512 -0.743 . . . . 0.0 109.788 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' A' ' 22' ' ' ARG . 4.3 t80 -83.92 44.62 1.01 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.13 -0.981 . . . . 0.0 110.78 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.629 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER 50.92 162.82 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.471 -0.768 . . . . 0.0 111.386 179.544 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -129.85 -31.54 1.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.142 -0.974 . . . . 0.0 110.642 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.509 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 164.99 -167.92 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.358 -0.839 . . . . 0.0 110.906 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.79 -68.34 0.33 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -174.32 -40.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.636 -0.92 . . . . 0.0 108.631 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.649 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 25.2 p -78.42 1.09 23.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.211 0.529 . . . . 0.0 109.769 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -41.83 135.13 2.4 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.641 -0.662 . . . . 0.0 112.023 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.12 -16.35 35.81 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.907 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 61.4 mtt180 -82.21 153.93 25.69 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.954 -1.321 . . . . 0.0 110.184 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 80.2 p -121.57 101.18 7.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.429 -0.795 . . . . 0.0 110.516 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.2 m-20 -101.06 125.08 47.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.443 -0.785 . . . . 0.0 109.938 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.662 HG22 ' CE2' ' A' ' 35' ' ' TYR . 88.7 m -99.41 120.79 40.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.253 -0.904 . . . . 0.0 109.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD2' ' HB3' ' A' ' 44' ' ' ARG . 65.9 m-85 -104.87 142.88 33.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.996 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.662 ' CE2' HG22 ' A' ' 33' ' ' THR . 1.5 m-85 -126.72 146.9 50.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.312 -0.867 . . . . 0.0 110.291 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -102.5 146.61 27.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 0.0 108.965 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 3.4 p -56.54 -173.15 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.462 -0.774 . . . . 0.0 110.048 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.786 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.0 Cg_endo -82.19 -10.37 11.3 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.272 1.143 . . . . 0.0 111.268 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 t -168.06 20.18 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 0.0 112.959 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.78 86.61 0.08 OUTLIER Glycine 0 N--CA 1.497 2.719 0 C-N-CA 118.821 -1.657 . . . . 0.0 112.153 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.0 OUTLIER 163.54 113.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.779 -0.836 . . . . 0.0 109.044 178.197 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 145.81 30.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.371 -0.831 . . . . 0.0 110.951 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.966 HG21 HD12 ' A' ' 49' ' ' LEU . 3.0 mt -140.56 153.47 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.597 -0.69 . . . . 0.0 109.508 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.561 ' HG3' ' C5A' ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -131.34 0.47 4.09 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.156 -0.965 . . . . 0.0 111.512 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.459 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 49.4 m -158.98 -167.41 2.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.765 -1.209 . . . . 0.0 110.985 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.482 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -75.2 -51.37 13.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.481 -0.762 . . . . 0.0 110.096 -179.498 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.608 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.3 t -52.09 -48.23 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.305 -0.872 . . . . 0.0 109.242 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.874 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -51.09 -43.68 61.11 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.654 0.74 . . . . 0.0 109.222 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.966 HD12 HG21 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -64.73 -40.21 94.95 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.825 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -67.06 -16.22 64.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.677 -0.639 . . . . 0.0 110.308 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.5 mtp180 -80.02 -62.54 1.65 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.22 -0.925 . . . . 0.0 110.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 2.9 t80 -58.03 -21.81 46.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.39 -0.819 . . . . 0.0 110.223 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 59' ' ' LEU . 67.8 mt -92.56 -17.92 23.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.275 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.3 153.33 13.81 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 -29.15 17.17 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.807 1.425 . . . . 0.0 110.205 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.48 -18.3 52.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.112 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.4 m -91.39 86.81 6.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.86 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.59 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.24 174.02 10.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.228 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.744 HD13 HD23 ' A' ' 49' ' ' LEU . 88.9 mt -139.89 52.68 1.69 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.4 -0.812 . . . . 0.0 109.779 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -23.35 27.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.812 . . . . 0.0 110.585 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CB ' HD23 ' A' ' 69' ' ' LEU . 6.9 mt -85.64 -37.35 19.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.272 -0.892 . . . . 0.0 110.355 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.804 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 71.2 t80 -55.33 127.31 28.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.27 -0.894 . . . . 0.0 109.757 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -102.87 9.58 38.81 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.253 -0.905 . . . . 0.0 111.757 -179.046 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 24.1 t80 54.51 -85.86 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.155 -0.966 . . . . 0.0 110.853 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -48.59 -31.11 6.12 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.208 -0.933 . . . . 0.0 110.979 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.543 ' OE1' HD11 ' A' ' 68' ' ' ILE . 45.9 mt-30 -84.87 -28.93 25.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 0.0 109.991 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.578 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 63.45 39.48 97.75 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.74 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -155.16 160.6 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.591 -0.946 . . . . 0.0 110.149 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 61' ' ' LEU . 5.6 mt -94.79 74.61 3.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.526 -0.734 . . . . 0.0 110.136 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.583 ' HB2' HD12 ' A' ' 68' ' ' ILE . 2.0 t -79.74 -134.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.414 -0.804 . . . . 0.0 109.954 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.46 76.29 7.65 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.059 -1.026 . . . . 0.0 110.137 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.11 88.37 0.96 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.707 1.372 . . . . 0.0 110.26 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -164.92 109.42 0.82 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.41 -0.806 . . . . 0.0 110.112 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.42 -45.76 0.56 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.673 1.354 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.213 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.483 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.747 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.852 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.113 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.852 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.712 0 O4'-C1'-N19 110.904 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.857 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.843 0 O4'-C1'-N19 110.528 3.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.857 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.837 1 O4'-C1'-N19 111.045 4.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.875 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.8 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.718 1 O4'-C1'-N19 111.24 4.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.873 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.852 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.853 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.899 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.013 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.899 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C1'-N19 110.979 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.751 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.483 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.736 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.874 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.444 1.855 0 O4'-C1'-N19 110.874 3.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.874 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.89 0 O4'-C1'-N19 110.955 3.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.663 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.801 0 O4'-C1'-N19 110.616 3.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.82 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.743 1 O4'-C1'-N19 111.092 4.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.82 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.769 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.849 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.885 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.755 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.885 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.812 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.88 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.898 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.88 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.828 1 O4'-C1'-N19 111.061 4.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.458 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.803 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.229 0.538 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.71 23.62 3.8 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.288 -0.882 . . . . 0.0 110.363 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 11.0 mm-40 53.52 16.99 1.03 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.331 -0.856 . . . . 0.0 111.019 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 4.6 t70 53.95 95.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.081 -1.012 . . . . 0.0 110.777 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -79.14 155.98 28.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.278 -0.889 . . . . 0.0 110.167 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.09 160.49 27.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.815 . . . . 0.0 110.239 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.78 176.74 0.49 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.307 -0.871 . . . . 0.0 110.232 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.8 t -155.97 93.36 2.54 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.9 Cg_endo -77.92 6.72 4.38 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.84 1.442 . . . . 0.0 111.675 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -67.66 -9.52 44.06 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.012 -1.055 . . . . 0.0 111.107 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.071 HD11 HD21 ' A' ' 49' ' ' LEU . 1.2 mt -135.79 -61.89 0.7 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.951 -1.093 . . . . 0.0 110.469 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.08 -165.2 31.52 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.32 128.42 12.84 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.857 1.451 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.732 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 117.28 -39.47 2.64 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.779 ' CD2' HD13 ' A' ' 11' ' ' LEU . 61.8 m95 -57.41 140.22 50.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.47 -1.018 . . . . 0.0 111.227 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -134.57 152.38 51.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 179.416 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -140.14 140.11 35.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.157 -0.964 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 4' ' ' ASP . 10.4 tpt180 -140.49 146.34 38.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.581 -0.699 . . . . 0.0 109.469 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.68 127.74 45.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.274 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' SER . 12.2 t -105.47 104.55 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 109.822 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.47 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -83.26 45.75 1.06 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 110.558 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 50.63 171.03 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.332 -0.855 . . . . 0.0 111.143 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HB2' " O3'" ' B' ' 105' ' ' ' DC' . 0.4 OUTLIER -135.01 -36.36 0.82 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 110.562 179.639 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 13.0 t 172.76 -171.42 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.295 -0.878 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.469 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 103.25 -94.57 1.13 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.16 -44.62 0.2 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.612 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 41.2 p -72.32 -5.14 34.11 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.837 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.7 p -41.88 137.65 1.71 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.582 -0.699 . . . . 0.0 111.696 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.26 -15.59 39.13 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.684 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 69.1 mtt180 -83.48 165.99 18.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.021 -1.282 . . . . 0.0 110.367 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 7.4 p -129.79 96.23 4.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -99.77 126.09 45.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.813 . . . . 0.0 110.024 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.573 HG22 ' CE2' ' A' ' 35' ' ' TYR . 95.2 m -98.31 124.55 43.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 0.0 109.858 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 49.6 m-85 -108.72 152.75 24.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.541 -0.724 . . . . 0.0 109.886 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.573 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -139.95 144.04 36.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.955 . . . . 0.0 110.4 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 37' ' ' SER . 1.8 tt0 -108.1 150.05 27.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.775 . . . . 0.0 109.515 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 41' ' ' ASP . 20.0 p -54.47 -177.8 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.513 -0.742 . . . . 0.0 110.225 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.732 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 52.0 Cg_endo -84.58 -2.79 9.91 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.453 1.238 . . . . 0.0 112.194 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -166.76 19.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.092 -1.443 . . . . 0.0 113.274 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 139.53 82.16 0.08 OUTLIER Glycine 0 N--CA 1.497 2.715 0 C-N-CA 118.792 -1.671 . . . . 0.0 112.124 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.507 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 170.11 108.62 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.596 -0.943 . . . . 0.0 109.061 178.086 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 128.9 33.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 110.858 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.052 HG21 HD12 ' A' ' 49' ' ' LEU . 17.4 mt -128.97 150.47 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.607 -0.683 . . . . 0.0 109.381 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HB2' ' C5A' ' C' ' 118' ' ' 5CM . 36.7 mtt85 -126.94 -6.9 6.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.235 -0.916 . . . . 0.0 111.177 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.472 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 2.5 m -151.22 -164.37 1.99 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.962 -1.086 . . . . 0.0 110.237 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -80.08 -46.72 16.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.145 -0.972 . . . . 0.0 110.142 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.627 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 11.2 t -54.28 -48.53 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 108.703 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.89 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.4 mm-40 -53.28 -36.36 61.08 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.071 HD21 HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.31 -51.13 48.16 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.133 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.0 m -56.64 -21.21 25.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.907 -0.496 . . . . 0.0 110.198 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.2 mmm180 -74.1 -58.55 3.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.219 -0.925 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 3.7 t80 -68.09 -10.81 56.83 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.227 -0.92 . . . . 0.0 110.532 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 59' ' ' LEU . 41.5 mt -103.15 -21.12 13.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.155 -0.966 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.8 151.05 8.39 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -21.34 35.33 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 O-C-N 123.711 1.374 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.32 -9.27 33.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 0.0 110.26 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.3 t -84.42 64.36 8.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.205 -0.935 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.689 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -59.16 154.63 15.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.263 -0.898 . . . . 0.0 110.213 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 58' ' ' ASP . 74.2 mt -140.15 57.27 1.6 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.359 -0.838 . . . . 0.0 110.067 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -15.79 62.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 0.0 110.23 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.753 HD22 ' HA ' ' A' ' 71' ' ' TYR . 2.6 mt -88.43 -26.68 22.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.305 -0.872 . . . . 0.0 110.161 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.545 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 31.1 t80 -64.94 115.43 5.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.251 -0.905 . . . . 0.0 109.714 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -79.91 120.92 24.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.207 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' A' ' 35' ' ' TYR . 16.4 t80 -62.97 -23.02 67.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -90.67 -31.02 16.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.167 -0.958 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.466 ' HB3' HD11 ' A' ' 68' ' ' ILE . 49.8 mt-30 -109.21 -47.55 3.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.094 -1.004 . . . . 0.0 110.13 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.822 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 70.73 71.92 0.96 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.528 ' N ' ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -151.67 12.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.317 -1.108 . . . . 0.0 111.486 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.8 mt 48.45 55.52 8.82 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.025 -1.047 . . . . 0.0 110.171 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.3 t -42.8 -44.66 4.53 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.665 -0.647 . . . . 0.0 111.245 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.753 ' HA ' HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER 51.84 74.69 0.75 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.291 -0.88 . . . . 0.0 110.595 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.69 -179.93 4.63 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.819 1.431 . . . . 0.0 110.363 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.37 95.27 47.16 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.308 -0.87 . . . . 0.0 110.225 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.66 69.28 3.59 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.643 1.338 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tttp . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.184 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.533 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.853 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.825 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C1'-N19 110.431 3.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.825 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.611 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.859 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.874 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.859 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.703 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' 5CM . . . . . 0.848 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.73 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.777 1 O4'-C1'-N19 111.256 4.321 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' DG' . . . . . 0.851 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.894 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.851 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.904 0 O4'-C1'-N19 110.772 3.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ' DT' . . . . . 0.848 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.931 0 O4'-C1'-N19 110.705 3.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.848 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.757 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ' DC' . . . . . 0.462 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.782 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.468 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 114' ' ' ' DT' . . . . . 0.828 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C1'-N19 110.385 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.828 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.73 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 116' ' ' ' DT' . . . . . 0.721 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.762 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 117' ' ' ' DC' . . . . . 0.721 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.706 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 118' ' ' 5CM . . . . . 0.823 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 119' ' ' ' DG' . . . . . 0.823 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.879 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.752 0 O4'-C1'-N19 110.987 3.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 121' ' ' ' DA' . . . . . 0.879 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C1'-N19 110.896 3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.873 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.913 0 O4'-C1'-N19 110.802 3.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.772 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.412 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.706 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.439 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 19.0 m95 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.197 0.522 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -111.42 154.2 25.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.014 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -58.07 170.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.273 -0.892 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.4 t -150.15 87.75 4.91 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.65 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -71.14 -5.26 16.6 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.983 1.517 . . . . 0.0 111.579 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.857 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -58.82 -14.78 9.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 110.898 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 49' ' ' LEU . 3.3 mp -127.32 -68.95 0.77 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.021 -1.05 . . . . 0.0 110.398 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.96 -166.22 32.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.78 138.69 26.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.803 1.423 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.748 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 109.25 -35.09 5.13 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.809 ' CE2' HD22 ' A' ' 11' ' ' LEU . 36.9 m95 -62.4 145.92 52.72 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.349 -1.089 . . . . 0.0 111.418 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -139.53 132.53 29.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.667 -0.645 . . . . 0.0 109.598 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -115.21 152.94 31.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.263 -0.898 . . . . 0.0 110.522 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 33' ' ' THR . 11.7 ttp180 -140.03 160.15 40.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.854 . . . . 0.0 110.229 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.96 143.14 45.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 109.922 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 34' ' ' TYR . 25.3 t -132.34 101.55 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.208 -0.932 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' ARG . 3.2 t80 -84.7 50.04 1.83 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.259 -0.901 . . . . 0.0 110.217 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.579 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 48.59 -179.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.707 0.765 . . . . 0.0 111.07 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.4 tmmt? -139.17 -38.4 0.49 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.528 -0.732 . . . . 0.0 109.923 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.471 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 0.6 OUTLIER 167.7 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.441 -0.787 . . . . 0.0 110.764 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.57 -91.1 1.01 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.81 -41.92 0.17 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.948 0.88 . . . . 0.0 109.057 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.434 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 42.4 p -77.8 -0.16 26.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.865 -0.522 . . . . 0.0 110.036 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 38.0 t -45.06 138.78 3.55 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 111.731 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 -14.08 49.94 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.497 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.473 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 97.8 mtt180 -87.41 150.0 24.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.047 -1.267 . . . . 0.0 110.207 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 53.6 p -110.97 118.06 35.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 110.485 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -116.16 127.92 55.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.436 -0.79 . . . . 0.0 110.055 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 18' ' ' ARG . 11.3 m -99.77 124.3 44.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 110.409 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CD1' HG21 ' A' ' 20' ' ' VAL . 86.3 m-85 -113.49 142.64 45.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.443 -0.786 . . . . 0.0 109.402 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -139.74 139.85 36.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.056 -1.028 . . . . 0.0 110.63 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 45.3 tt0 -99.62 152.43 20.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.425 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.487 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -54.15 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.586 -0.696 . . . . 0.0 110.493 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.748 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.3 Cg_endo -86.05 -9.22 7.51 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.481 1.253 . . . . 0.0 111.225 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -161.09 14.9 0.1 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.808 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.49 80.98 0.04 OUTLIER Glycine 0 N--CA 1.495 2.591 0 C-N-CA 118.723 -1.703 . . . . 0.0 112.227 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.74 128.79 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.486 -1.008 . . . . 0.0 109.628 177.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.556 ' C ' HD12 ' A' ' 43' ' ' ILE . 6.9 tpt180 -97.85 105.37 17.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.219 -0.925 . . . . 0.0 110.568 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.918 HG21 HD12 ' A' ' 49' ' ' LEU . 1.3 mp -106.21 135.55 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.331 -0.856 . . . . 0.0 109.322 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.46 -3.34 15.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.867 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -154.97 -165.19 1.97 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -179.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' N ' ' OG ' ' A' ' 45' ' ' SER . 8.4 ttpt -78.95 -42.8 26.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.514 -0.741 . . . . 0.0 109.086 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 25.1 t -56.58 -54.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 0.0 108.729 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.69 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.57 -39.02 48.37 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.616 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -67.98 -42.71 80.4 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.8 m -65.79 -15.77 63.18 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.745 -0.597 . . . . 0.0 109.882 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.534 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 15.1 mmt180 -77.77 -62.37 1.69 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.867 . . . . 0.0 110.185 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.455 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -58.44 -21.93 52.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 110.251 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 59' ' ' LEU . 43.1 mt -94.56 -15.84 23.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.49 153.35 18.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.32 -29.7 20.8 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 123.7 1.369 . . . . 0.0 110.199 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.23 -21.61 58.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.416 -0.803 . . . . 0.0 109.98 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.57 66.33 7.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -59.49 166.25 2.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.937 HD13 HD23 ' A' ' 49' ' ' LEU . 88.6 mt -139.48 64.6 1.46 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.37 -0.831 . . . . 0.0 110.046 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 -20.99 60.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.321 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.493 ' O ' HD23 ' A' ' 69' ' ' LEU . 16.0 mt -95.1 13.5 25.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.253 -0.904 . . . . 0.0 110.671 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.632 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 43.2 t80 -98.45 130.1 45.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 110.054 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.19 120.33 29.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.47 -0.769 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.75 -26.27 61.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.004 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.13 -12.07 39.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.0 110.926 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -123.07 -40.51 2.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.119 -0.988 . . . . 0.0 110.632 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 82.5 56.59 2.78 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.857 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 2.8 pt -154.62 150.55 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.424 -1.045 . . . . 0.0 110.496 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 61' ' ' LEU . 10.4 mt . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.504 -0.748 . . . . 0.0 109.589 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 34.8 m95 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.185 0.517 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -107.69 160.53 15.64 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.471 -0.768 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.92 158.66 32.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 46.1 t -136.84 82.97 30.3 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.85 -5.36 16.72 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 O-C-N 124.115 1.587 . . . . 0.0 112.513 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.962 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -55.38 -53.66 53.46 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.778 -1.201 . . . . 0.0 110.184 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.044 HD11 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -81.9 -67.96 0.74 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.359 -0.838 . . . . 0.0 110.772 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.52 -159.81 23.16 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.253 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' O ' ' HB3' ' A' ' 38' ' ' PRO . 47.9 Cg_endo -73.66 136.99 24.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.973 1.512 . . . . 0.0 111.112 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.746 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 105.29 -34.58 5.68 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.96 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 41.8 m95 -60.16 143.12 53.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.542 -0.975 . . . . 0.0 111.05 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.03 148.2 41.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.464 -0.773 . . . . 0.0 109.66 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.93 147.5 52.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.902 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -135.08 147.23 49.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.478 -0.764 . . . . 0.0 109.624 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.9 146.14 27.73 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.918 . . . . 0.0 110.37 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG21 ' CD1' ' A' ' 34' ' ' TYR . 22.0 t -132.31 96.15 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.817 . . . . 0.0 110.017 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 -83.05 45.32 1.0 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.367 -0.833 . . . . 0.0 110.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.75 168.31 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 111.083 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' SER . 3.1 tppt? -134.79 -30.81 1.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.0 110.338 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 164.28 -165.86 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.413 -0.804 . . . . 0.0 110.788 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.46 -66.51 0.46 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -176.38 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.631 -0.923 . . . . 0.0 108.554 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.452 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 18.1 p -78.45 -1.48 33.83 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.5 t -39.64 131.32 1.78 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.659 -0.65 . . . . 0.0 111.793 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.68 -15.97 23.97 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 120.123 -1.037 . . . . 0.0 110.681 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 31.6 mtt180 -83.76 151.74 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.998 -1.295 . . . . 0.0 110.566 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 49.2 p -119.38 106.31 12.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.34 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 45.7 m-20 -109.31 127.65 54.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.473 -0.767 . . . . 0.0 110.193 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.436 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 6.6 m -99.23 121.93 41.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.434 -0.791 . . . . 0.0 110.034 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.543 ' CD1' HG21 ' A' ' 20' ' ' VAL . 45.6 m-85 -106.42 144.97 32.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -135.56 160.07 39.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.153 -0.967 . . . . 0.0 110.473 -179.585 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -125.87 148.94 49.03 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.521 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -53.47 -175.58 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.63 -0.669 . . . . 0.0 109.309 179.399 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.746 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 43.2 Cg_endo -75.6 -13.22 20.27 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 N-CA-C 109.538 -0.985 . . . . 0.0 109.538 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 38' ' ' PRO . 13.2 t -179.2 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.01 -115.6 2.42 Favored Glycine 0 N--CA 1.489 2.194 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.047 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -116.69 -153.32 0.52 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.592 -0.946 . . . . 0.0 110.464 -178.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.03 116.17 31.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 110.906 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.878 HG21 HD12 ' A' ' 49' ' ' LEU . 23.2 mt -99.54 155.16 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.21 -10.46 7.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.106 -0.996 . . . . 0.0 111.562 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -152.63 -166.08 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.781 -1.2 . . . . 0.0 111.021 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -77.21 -47.53 19.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.2 t -54.29 -52.7 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 108.779 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.859 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.0 mt-10 -53.18 -32.94 50.46 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.044 HD21 HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.18 -48.68 41.42 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.171 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.1 m -59.03 -21.12 58.58 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.763 -0.586 . . . . 0.0 109.697 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -73.48 -59.53 2.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.41 -0.806 . . . . 0.0 110.023 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 6.8 t80 -59.73 -24.57 64.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.339 -0.851 . . . . 0.0 110.17 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.643 ' CD1' HD11 ' A' ' 59' ' ' LEU . 68.5 mt -86.36 -21.45 27.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.04 156.69 14.37 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -16.47 33.34 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.826 1.435 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.01 14.76 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.47 63.72 0.96 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -51.32 174.3 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.462 -0.774 . . . . 0.0 110.747 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.676 ' CD1' HD23 ' A' ' 49' ' ' LEU . 32.7 mt -151.78 62.77 0.86 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.562 -0.711 . . . . 0.0 109.674 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -76.97 -0.08 23.05 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.357 -0.839 . . . . 0.0 111.203 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.88 -26.16 11.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.013 -1.054 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.463 ' CE2' ' HA ' ' A' ' 64' ' ' PHE . 39.1 t80 -59.77 123.06 15.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.174 -0.954 . . . . 0.0 109.488 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' LYS . 7.3 m-20 -85.15 7.99 19.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.359 -0.838 . . . . 0.0 111.7 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.463 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 64.3 t80 57.43 -76.91 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.289 -0.882 . . . . 0.0 110.743 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -57.23 -53.8 54.0 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.125 -0.984 . . . . 0.0 110.834 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.501 ' HB3' HD11 ' A' ' 68' ' ' ILE . 17.7 mm100 -63.55 -32.9 74.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 110.522 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 69.67 45.48 58.62 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.828 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -153.14 157.43 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.386 -1.067 . . . . 0.0 110.445 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.962 HD12 ' O ' ' A' ' 10' ' ' ALA . 9.1 mt . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.481 -0.762 . . . . 0.0 109.59 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.461 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 27.1 m95 . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 121.093 0.473 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -137.55 160.1 40.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 110.215 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 165.01 7.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.291 -0.881 . . . . 0.0 109.925 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 47.5 t -148.2 84.8 6.61 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 110.436 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.518 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.4 Cg_endo -73.99 -7.03 19.43 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 O-C-N 123.791 1.417 . . . . 0.0 111.08 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.777 ' HB1' ' HD1' ' A' ' 62' ' ' PHE . . . -55.86 -19.63 12.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.231 -0.918 . . . . 0.0 111.21 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.922 HD23 HD11 ' A' ' 53' ' ' LEU . 2.9 mp -126.53 -66.84 0.89 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.944 -1.097 . . . . 0.0 110.684 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.99 -165.44 29.96 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.57 133.75 19.35 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.849 1.447 . . . . 0.0 110.703 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.738 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 111.88 -32.66 6.22 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.712 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 85.7 m95 -62.89 147.02 51.48 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.406 -1.055 . . . . 0.0 111.435 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 5.4 mmtt -137.87 154.08 49.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.683 -0.636 . . . . 0.0 109.407 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.15 137.85 49.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.992 . . . . 0.0 110.752 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 4.7 tpm_? -140.12 133.53 29.98 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.61 -0.681 . . . . 0.0 109.478 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -99.59 137.08 38.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 0.0 110.248 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 31' ' ' SER . 9.8 t -116.04 104.98 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.523 -0.736 . . . . 0.0 109.93 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -86.09 37.9 0.74 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.091 -1.005 . . . . 0.0 110.512 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HG3' ' HB2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER 51.54 162.34 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.732 0.777 . . . . 0.0 111.399 179.537 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -128.27 -34.63 2.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 110.378 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 p 166.39 -170.29 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.368 -0.832 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 26' ' ' ALA . . . 106.15 -58.03 0.45 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' GLY . . . 177.94 -38.76 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.581 -0.952 . . . . 0.0 108.456 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.512 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 33.4 p -85.42 9.02 16.83 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.578 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.1 t -49.2 132.84 19.58 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.423 -0.798 . . . . 0.0 111.452 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.75 -7.16 55.26 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.665 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.637 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.8 mpt_? -91.45 128.66 37.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.283 . . . . 0.0 109.539 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 9.0 p -99.64 124.07 44.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.006 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.2 m-20 -124.01 129.72 51.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.539 -0.725 . . . . 0.0 109.66 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.642 HG22 ' CE2' ' A' ' 35' ' ' TYR . 31.2 m -98.48 118.61 35.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.243 -0.91 . . . . 0.0 110.238 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 55.2 m-85 -101.85 153.23 20.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.624 -0.673 . . . . 0.0 110.02 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -139.7 144.02 37.34 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.242 -0.911 . . . . 0.0 110.25 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -109.33 142.19 40.58 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . 9.5 p -54.99 -175.47 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.801 . . . . 0.0 110.092 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.738 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 45.9 Cg_endo -83.63 -7.79 10.52 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.386 1.203 . . . . 0.0 111.705 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -168.2 47.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 118.05 -1.46 . . . . 0.0 112.796 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 113.64 89.52 1.75 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 119.537 -1.316 . . . . 0.0 111.944 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.4 OUTLIER 165.09 108.73 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.83 -0.806 . . . . 0.0 109.123 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 116.0 19.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.298 -0.876 . . . . 0.0 110.888 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.815 HG23 ' HB3' ' A' ' 48' ' ' GLU . 28.0 mt -112.94 148.98 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.489 -0.757 . . . . 0.0 109.128 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -135.85 4.22 3.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.216 -0.927 . . . . 0.0 111.583 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.34 -162.7 0.76 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.829 -1.17 . . . . 0.0 111.054 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -74.65 -47.96 28.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.455 -0.778 . . . . 0.0 109.669 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 51' ' ' ARG . 15.3 t -54.56 -54.25 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.471 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.815 ' HB3' HG23 ' A' ' 43' ' ' ILE . 6.9 mm-40 -51.68 -42.47 62.19 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.384 -0.823 . . . . 0.0 109.233 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.859 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.6 tp -66.23 -46.32 77.61 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -61.12 -16.72 47.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.821 -0.549 . . . . 0.0 110.215 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.508 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mmt180 -78.53 -62.12 1.79 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.919 . . . . 0.0 110.486 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.4 t80 -53.14 -28.36 25.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.178 -0.951 . . . . 0.0 110.093 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.922 HD11 HD23 ' A' ' 11' ' ' LEU . 3.2 mt -92.05 -22.82 19.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.49 155.37 16.02 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.41 -27.21 19.52 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 O-C-N 123.897 1.472 . . . . 0.0 110.378 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.0 -21.01 55.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.152 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.91 74.38 4.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.189 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -59.65 160.19 7.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.328 -0.858 . . . . 0.0 110.183 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.887 HD11 HD13 ' A' ' 53' ' ' LEU . 65.3 mt -132.48 43.6 2.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -25.78 34.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.37 -0.831 . . . . 0.0 110.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.25 -24.47 37.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.414 -0.804 . . . . 0.0 110.212 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.777 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 67.8 t80 -68.21 118.36 11.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.027 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 1.9 m-20 -85.39 111.56 20.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 109.892 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -50.0 -43.36 50.54 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.354 -0.841 . . . . 0.0 110.889 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -55.1 6.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.102 -0.999 . . . . 0.0 111.052 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 14.6 mt-30 -64.76 -50.95 64.84 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.963 . . . . 0.0 110.622 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.641 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 85.2 52.28 3.47 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.946 -1.662 . . . . 0.0 108.946 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.601 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -156.8 155.28 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.563 -0.963 . . . . 0.0 110.093 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 69' ' ' LEU . 7.0 mt . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.783 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.598 ' O ' HD23 ' A' ' 6' ' ' LEU . 82.9 m95 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.271 0.557 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 5' ' ' TRP . 57.9 mt -135.25 160.6 37.87 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.105 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.77 152.97 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.292 -0.88 . . . . 0.0 110.427 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.476 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.4 t -142.73 84.69 10.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.829 . . . . 0.0 109.607 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.1 Cg_endo -72.0 -8.16 22.4 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 124.012 1.533 . . . . 0.0 111.881 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.919 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -54.21 -60.62 3.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.023 -1.048 . . . . 0.0 110.652 -179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.795 HD21 ' HG ' ' A' ' 49' ' ' LEU . 1.7 mp -79.74 -59.93 2.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.43 -0.794 . . . . 0.0 110.691 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.16 -161.14 32.07 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.27 147.92 38.09 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.847 1.446 . . . . 0.0 110.875 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.779 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 98.67 -32.07 7.43 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.775 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 63.7 m95 -65.32 146.31 55.09 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.412 -1.052 . . . . 0.0 111.447 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -140.24 149.94 43.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.649 -0.657 . . . . 0.0 109.596 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -126.36 122.89 36.69 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.171 -0.956 . . . . 0.0 110.682 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.74 138.33 50.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.385 -0.822 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.15 147.8 25.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.887 . . . . 0.0 110.269 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 34' ' ' TYR . 41.3 t -126.62 157.83 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.404 -0.81 . . . . 0.0 109.833 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -135.38 40.17 2.84 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.198 -0.938 . . . . 0.0 110.106 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.613 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.22 175.08 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.598 0.714 . . . . 0.0 111.315 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -140.48 -41.36 0.41 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.418 -0.801 . . . . 0.0 110.343 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.547 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 45.5 t 174.48 -166.96 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.378 -0.826 . . . . 0.0 110.962 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.6 -74.04 0.41 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.35 -43.88 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.501 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 40.0 p -76.35 -1.96 29.39 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.215 0.531 . . . . 0.0 109.742 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 19.3 t -41.3 137.0 1.52 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 111.88 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.43 -9.74 60.97 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.346 -1.101 . . . . 0.0 110.346 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.542 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 10.8 mtp85 -91.54 134.88 34.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.123 -1.221 . . . . 0.0 109.925 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 94.7 p -99.8 130.81 46.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.861 . . . . 0.0 110.479 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.446 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.6 m-20 -123.47 134.84 53.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.776 . . . . 0.0 109.991 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.618 HG22 ' CE2' ' A' ' 35' ' ' TYR . 26.1 m -99.64 123.52 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CD1' HG21 ' A' ' 20' ' ' VAL . 69.0 m-85 -110.49 157.75 19.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.447 -0.783 . . . . 0.0 109.565 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.618 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.8 OUTLIER -140.3 145.17 36.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.966 . . . . 0.0 110.751 -179.522 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -110.11 141.29 43.19 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.503 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.1 p -54.6 -177.75 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.221 -0.924 . . . . 0.0 110.263 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.779 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -84.95 -7.81 9.24 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.476 1.251 . . . . 0.0 111.671 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 t -165.91 46.76 0.08 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 118.357 -1.337 . . . . 0.0 112.295 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 106.39 91.0 2.2 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.993 -1.099 . . . . 0.0 111.653 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 165.69 113.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.477 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.56 126.74 31.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 111.351 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.601 HG21 HD12 ' A' ' 49' ' ' LEU . 37.9 mm -117.82 149.21 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.11 -21.55 5.41 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.014 -1.054 . . . . 0.0 111.407 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -155.42 -155.57 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.976 -1.078 . . . . 0.0 110.61 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -75.22 -46.15 35.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 110.261 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.56 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 3.0 t -54.53 -61.07 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.06 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.0 tp10 -49.5 -36.15 22.14 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.001 HD23 HD13 ' A' ' 59' ' ' LEU . 7.8 tp -65.69 -42.39 91.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 57' ' ' CYS . 52.0 m -65.9 -20.88 66.38 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 19.9 mmt85 -68.68 -55.94 9.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.277 -0.889 . . . . 0.0 109.567 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.7 t80 -56.78 -34.89 68.08 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.907 ' CD1' HD11 ' A' ' 59' ' ' LEU . 7.0 mt -80.41 -22.87 40.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.572 -0.705 . . . . 0.0 110.185 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.4 154.88 11.08 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.1 -21.97 31.16 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.881 1.464 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.21 -19.37 36.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.408 -0.808 . . . . 0.0 110.114 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.475 ' O ' HG23 ' A' ' 50' ' ' THR . 8.5 t -88.61 132.22 34.64 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.257 -0.902 . . . . 0.0 110.069 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 173.67 6.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.326 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.001 HD13 HD23 ' A' ' 49' ' ' LEU . 52.1 mt -148.39 49.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 109.335 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -65.46 -13.24 58.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.623 -0.673 . . . . 0.0 111.102 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HB2' HD22 ' A' ' 69' ' ' LEU . 53.4 mt -97.38 -10.38 25.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.152 -0.968 . . . . 0.0 110.775 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' HD23 ' A' ' 69' ' ' LEU . 35.6 t80 -76.79 121.98 24.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.13 -0.981 . . . . 0.0 109.274 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -90.35 18.53 6.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.206 -0.934 . . . . 0.0 111.252 -179.005 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 63' ' ' ASP . 82.9 t80 55.63 -81.44 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.375 -0.828 . . . . 0.0 110.851 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -57.31 -52.77 64.0 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.222 -0.924 . . . . 0.0 110.665 -179.791 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HB3' HD11 ' A' ' 68' ' ' ILE . 12.3 mm-40 -53.75 -38.83 64.78 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.199 -0.938 . . . . 0.0 110.41 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.04 24.2 64.61 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.892 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.5 pp -136.68 154.62 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.23 -1.159 . . . . 0.0 110.136 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.919 HD12 ' O ' ' A' ' 10' ' ' ALA . 8.3 mt . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 30.1 m95 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.134 0.493 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -108.6 160.22 16.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.31 -0.869 . . . . 0.0 110.108 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.64 178.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.263 -0.898 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.1 t -152.21 88.59 4.07 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.413 -0.805 . . . . 0.0 109.947 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.7 Cg_endo -72.81 -6.6 19.31 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 O-C-N 123.995 1.523 . . . . 0.0 111.639 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.826 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -52.72 -37.26 58.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.231 -0.918 . . . . 0.0 110.939 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.94 HD22 ' CZ2' ' A' ' 15' ' ' TRP . 4.4 mp -111.89 -63.25 1.45 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.857 . . . . 0.0 110.787 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.24 -160.17 24.09 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.74 145.98 37.57 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.888 1.467 . . . . 0.0 110.724 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.775 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 100.74 -36.93 3.83 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.94 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 77.4 m95 -60.76 147.75 41.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.415 -1.05 . . . . 0.0 110.868 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -140.17 151.7 45.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.717 . . . . 0.0 109.794 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -132.93 142.97 49.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 0.0 110.595 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.44 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 7.2 ttt180 -133.33 141.72 48.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.588 -0.695 . . . . 0.0 109.386 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.53 129.03 45.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 110.015 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.7 t -115.82 99.86 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.467 -0.771 . . . . 0.0 110.348 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -82.36 49.94 1.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.232 -0.918 . . . . 0.0 109.954 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.587 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 49.16 -179.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.367 -0.833 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.0 ttpt -140.89 -36.53 0.46 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.435 -0.79 . . . . 0.0 109.868 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 167.97 -168.16 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.455 -0.778 . . . . 0.0 110.772 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.96 -91.88 1.0 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.5 -43.08 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.598 -0.942 . . . . 0.0 108.975 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.431 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 44.4 p -75.31 -1.49 23.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.893 -0.505 . . . . 0.0 109.947 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -42.8 140.37 1.36 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.533 -0.73 . . . . 0.0 111.876 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 -17.03 49.65 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.511 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 57.0 mtp85 -82.18 149.76 27.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -1.183 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 p -113.51 103.31 11.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 110.218 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 95.1 m-20 -99.91 124.41 45.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 110.058 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.594 HG22 ' CE2' ' A' ' 35' ' ' TYR . 94.4 m -99.25 112.4 24.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 0.0 110.057 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 86.1 m-85 -100.46 151.64 21.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.504 -0.747 . . . . 0.0 109.699 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.594 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -140.07 154.0 46.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.182 -0.949 . . . . 0.0 110.287 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -115.32 149.92 37.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.498 -0.751 . . . . 0.0 109.3 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.557 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 6.3 m -55.37 -178.22 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.39 -0.819 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.775 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.8 Cg_endo -85.93 1.81 7.8 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.301 1.158 . . . . 0.0 112.864 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.48 HG22 ' OH ' ' A' ' 52' ' ' TYR . 11.4 t -167.06 16.8 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.625 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 137.86 83.58 0.12 Allowed Glycine 0 N--CA 1.497 2.723 0 C-N-CA 118.592 -1.766 . . . . 0.0 112.2 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.557 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 4.4 t0 169.05 121.17 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.765 -0.844 . . . . 0.0 108.94 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 137.8 37.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.808 . . . . 0.0 110.875 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.869 HG23 ' HB3' ' A' ' 48' ' ' GLU . 47.1 mt -136.16 146.34 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.53 -0.731 . . . . 0.0 109.178 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.95 1.69 3.95 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.112 -0.992 . . . . 0.0 111.383 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.7 m -161.23 -165.87 1.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.849 -1.157 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.11 -47.19 29.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.178 -0.951 . . . . 0.0 109.947 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 3.2 t -52.94 -52.21 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 0.0 108.95 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.869 ' HB3' HG23 ' A' ' 43' ' ' ILE . 5.0 mm-40 -52.11 -40.05 60.74 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.996 HD23 HD13 ' A' ' 59' ' ' LEU . 3.1 tp -64.6 -40.3 95.27 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 57' ' ' CYS . 98.3 m -67.49 -22.51 65.46 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.0 mtp180 -68.41 -58.57 4.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.231 -0.918 . . . . 0.0 109.848 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 13.1 t80 -57.82 -29.93 65.32 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.293 -0.879 . . . . 0.0 109.986 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.886 ' CD1' HD11 ' A' ' 59' ' ' LEU . 19.2 mt -85.53 -14.62 45.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.416 -0.803 . . . . 0.0 110.445 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.48 153.86 16.79 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.01 -15.4 32.42 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 O-C-N 123.77 1.405 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.38 -17.3 29.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 110.207 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 50' ' ' THR . 2.8 m -90.09 121.33 32.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.299 -0.875 . . . . 0.0 110.139 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -104.49 160.34 15.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 110.209 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.996 HD13 HD23 ' A' ' 49' ' ' LEU . 83.8 mt -139.27 55.5 1.69 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.435 -0.791 . . . . 0.0 110.016 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -12.03 61.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.813 . . . . 0.0 110.559 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mt -96.22 -23.63 16.62 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.656 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 60.5 t80 -59.19 144.74 45.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.221 -0.924 . . . . 0.0 110.178 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.57 110.46 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.434 -0.792 . . . . 0.0 110.06 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -56.12 -23.93 37.47 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.374 -0.829 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -61.55 1.66 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.0 110.591 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.39 -52.33 47.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.299 -0.875 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.705 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 99.04 47.5 1.88 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG22 ' HG2' ' A' ' 9' ' ' PRO . 8.4 pt -147.1 150.47 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.489 -1.006 . . . . 0.0 110.055 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 10' ' ' ALA . 3.3 mt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 109.918 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 4.9 m95 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.205 0.526 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 6' ' ' LEU . 77.6 mt -99.57 147.07 25.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.368 -0.832 . . . . 0.0 109.813 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -49.69 167.87 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.39 -0.819 . . . . 0.0 110.785 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.3 t -144.1 85.29 9.02 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 121.471 -0.768 . . . . 0.0 109.649 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.0 Cg_endo -70.57 -8.67 24.15 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 O-C-N 123.872 1.459 . . . . 0.0 111.282 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.919 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -60.79 -15.07 25.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.241 -0.912 . . . . 0.0 110.852 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.747 ' CD2' HD11 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -127.53 -67.64 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.017 -1.052 . . . . 0.0 110.668 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.57 -169.56 39.46 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 119.657 -1.259 . . . . 0.0 110.188 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.68 109.31 2.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.903 1.475 . . . . 0.0 110.752 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.79 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.19 -38.03 1.58 Allowed Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CH2' HD12 ' A' ' 49' ' ' LEU . 78.4 m95 -65.29 140.75 58.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.54 -0.977 . . . . 0.0 111.304 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -132.1 149.11 52.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.735 -0.603 . . . . 0.0 109.404 179.338 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.26 142.38 47.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.258 -0.901 . . . . 0.0 110.573 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 34.1 ttp85 -137.57 132.27 32.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.604 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.55 136.99 38.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.211 -0.931 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 31' ' ' SER . 22.3 t -120.5 100.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 109.978 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 22' ' ' ARG . 42.3 t80 -81.92 41.78 0.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.608 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.37 163.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.428 -0.795 . . . . 0.0 111.127 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.1 mmtt -129.63 -33.84 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 167.03 -165.59 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.293 -0.879 . . . . 0.0 110.799 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -69.42 0.47 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -172.41 -39.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.655 -0.909 . . . . 0.0 108.554 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.444 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 22.1 p -80.19 -0.18 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.626 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.608 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 10.0 t -42.58 133.9 3.27 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.597 -0.689 . . . . 0.0 111.738 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.02 -12.52 37.69 Favored Glycine 0 N--CA 1.493 2.488 0 C-N-CA 119.975 -1.107 . . . . 0.0 110.65 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 82.7 mtt180 -88.51 150.73 22.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.958 -1.319 . . . . 0.0 110.122 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 46.8 p -114.51 101.47 9.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.6 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 2.0 m-20 -99.76 124.82 45.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.421 -0.799 . . . . 0.0 109.879 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.631 HG22 ' CE2' ' A' ' 35' ' ' TYR . 31.0 m -98.91 126.01 44.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 54.7 m-85 -110.61 158.14 18.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.554 -0.716 . . . . 0.0 109.722 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.631 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.5 OUTLIER -140.28 145.73 37.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 110.566 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 62.9 tt0 -107.33 147.22 30.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 109.357 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.565 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -54.15 -176.47 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.533 -0.729 . . . . 0.0 110.43 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.79 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.6 Cg_endo -85.08 -10.29 8.13 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 O-C-N 123.588 1.309 . . . . 0.0 110.462 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -164.94 19.75 0.05 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 118.641 -1.223 . . . . 0.0 112.58 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.88 85.23 0.11 Allowed Glycine 0 N--CA 1.496 2.696 0 C-N-CA 118.966 -1.588 . . . . 0.0 112.117 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.565 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.22 116.12 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.511 -0.993 . . . . 0.0 109.167 178.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 120.74 24.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.303 -0.873 . . . . 0.0 111.28 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 48' ' ' GLU . 42.7 mm -119.4 151.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.07 -18.07 4.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.032 -1.043 . . . . 0.0 111.629 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.48 -160.24 1.13 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.944 -1.098 . . . . 0.0 111.134 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -44.59 34.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.497 -0.752 . . . . 0.0 109.965 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 7.5 t -58.92 -58.7 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.0 109.174 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.615 ' HB3' HG23 ' A' ' 43' ' ' ILE . 4.0 tt0 -49.85 -39.01 37.7 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.445 -0.785 . . . . 0.0 109.212 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.747 HD11 ' CD2' ' A' ' 11' ' ' LEU . 64.4 tp -66.21 -42.12 89.19 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.0 m -66.4 -15.19 63.11 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.769 -0.582 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.501 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 5.1 mtp180 -78.29 -59.85 2.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 0.0 110.376 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 3.8 t80 -59.72 -23.73 63.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.322 -0.861 . . . . 0.0 110.283 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.679 ' CD1' HD11 ' A' ' 59' ' ' LEU . 33.1 mt -88.89 3.75 50.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.596 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.14 154.62 30.06 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.01 -21.67 20.46 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.747 1.393 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.16 12.18 18.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.292 -0.88 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 t -121.72 67.59 0.91 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.154 -0.966 . . . . 0.0 110.097 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.565 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.6 m-20 -62.07 170.47 2.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.346 -0.846 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.679 HD11 ' CD1' ' A' ' 53' ' ' LEU . 87.5 mt -138.85 50.27 1.85 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.998 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -23.08 30.51 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.354 -0.841 . . . . 0.0 110.58 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 69' ' ' LEU . 18.5 mt -96.41 16.47 18.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 23.6 t80 -107.53 114.65 28.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.25 -0.906 . . . . 0.0 109.821 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.92 128.54 33.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.314 -0.866 . . . . 0.0 109.68 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.22 -57.2 9.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -58.28 -49.41 77.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.343 -0.848 . . . . 0.0 110.755 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.41 -51.92 18.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.305 -0.872 . . . . 0.0 110.371 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.45 44.33 7.46 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.919 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -146.69 155.34 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.414 -1.05 . . . . 0.0 110.316 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 61' ' ' LEU . 7.8 mt . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.427 ' NE1' ' HD2' ' A' ' 18' ' ' ARG . 56.9 m95 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.308 0.575 . . . . 0.0 110.119 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -108.49 160.25 16.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 0.0 109.897 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 166.04 3.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 51.9 t -143.96 87.33 8.07 Favored Pre-proline 0 N--CA 1.487 1.421 0 O-C-N 121.566 -0.709 . . . . 0.0 109.257 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.56 -2.48 10.82 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 O-C-N 124.106 1.582 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.887 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -58.96 -14.43 9.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.009 -1.057 . . . . 0.0 110.879 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.955 HD11 HD21 ' A' ' 49' ' ' LEU . 4.6 mp -130.23 -69.59 0.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.103 -0.998 . . . . 0.0 110.633 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.35 -164.75 28.37 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.52 139.75 28.92 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 O-C-N 123.879 1.463 . . . . 0.0 110.715 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.737 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 108.29 -37.48 3.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.784 ' CE2' HD22 ' A' ' 11' ' ' LEU . 57.0 m95 -59.25 137.84 57.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.549 -0.971 . . . . 0.0 111.344 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 140.78 46.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.596 -0.69 . . . . 0.0 109.224 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -123.38 148.02 46.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.175 -0.953 . . . . 0.0 111.003 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' A' ' 33' ' ' THR . 17.0 ttt180 -135.91 143.39 44.94 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 109.911 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.27 129.61 46.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 110.236 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 31' ' ' SER . 47.7 t -115.11 95.08 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.817 . . . . 0.0 109.975 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -79.86 51.35 1.31 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.315 -0.866 . . . . 0.0 110.54 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.602 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 49.7 173.54 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.932 0.872 . . . . 0.0 111.404 179.38 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.5 ttmm -126.87 -41.11 1.84 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.52 -0.737 . . . . 0.0 109.145 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 1.8 p 163.7 -177.59 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.775 -0.578 . . . . 0.0 110.498 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.59 -96.56 0.84 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.37 -46.91 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.615 -0.932 . . . . 0.0 108.839 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.46 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 76.0 p -74.09 -5.64 42.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.934 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.602 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 28.1 p -40.47 144.92 0.2 Allowed 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.414 0.626 . . . . 0.0 111.947 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.46 -19.52 52.29 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 8.8 mtp85 -78.67 152.8 31.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -1.2 . . . . 0.0 110.309 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 3.4 t -118.2 105.28 11.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.405 -0.809 . . . . 0.0 110.209 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.4 m-20 -99.32 123.83 43.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.448 -0.783 . . . . 0.0 109.789 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 2.0 m -98.99 113.81 26.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.397 -0.814 . . . . 0.0 110.424 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 91.2 m-85 -107.37 143.03 36.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.565 -0.709 . . . . 0.0 109.498 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.422 ' OH ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.1 149.14 42.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.171 -0.955 . . . . 0.0 110.391 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -104.88 153.87 20.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.465 -0.772 . . . . 0.0 109.666 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.566 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 4.1 p -56.06 -175.1 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.508 -0.745 . . . . 0.0 110.249 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.737 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -82.91 -8.82 11.0 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.597 1.314 . . . . 0.0 111.269 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -168.58 22.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.19 -1.404 . . . . 0.0 113.12 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.84 77.22 0.03 OUTLIER Glycine 0 N--CA 1.498 2.774 0 C-N-CA 118.659 -1.734 . . . . 0.0 112.302 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.51 106.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.505 -0.997 . . . . 0.0 109.42 177.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.614 ' C ' HD12 ' A' ' 43' ' ' ILE . 10.3 tpp180 -80.16 125.44 29.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.753 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 42' ' ' ARG . 1.4 mp -112.79 145.58 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 109.537 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -119.08 3.45 11.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.407 -0.808 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.516 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -169.64 -165.66 0.52 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.169 -0.957 . . . . 0.0 110.393 -179.335 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 45' ' ' SER . 5.7 ttpt -78.57 -40.8 33.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.387 -0.821 . . . . 0.0 108.796 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 39.7 t -58.74 -52.29 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.34 -0.85 . . . . 0.0 108.844 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.487 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 4.9 mm-40 -51.34 -37.85 49.99 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.006 HD23 HD13 ' A' ' 59' ' ' LEU . 2.4 tp -67.37 -44.94 77.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.1 m -63.42 -17.23 62.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.753 -0.592 . . . . 0.0 110.105 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 8.1 mtt-85 -76.83 -60.66 2.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 110.454 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 3.5 t80 -58.88 -21.07 56.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.324 -0.86 . . . . 0.0 110.373 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.794 ' CD1' HD11 ' A' ' 59' ' ' LEU . 45.3 mt -92.24 -18.24 23.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.39 156.65 18.63 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.55 -19.25 32.58 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.877 1.461 . . . . 0.0 110.454 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.08 14.03 17.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.878 . . . . 0.0 110.305 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.5 m -120.47 67.98 0.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 110.026 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -57.71 159.4 5.26 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.331 -0.856 . . . . 0.0 110.352 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.006 HD13 HD23 ' A' ' 49' ' ' LEU . 97.7 mt -140.66 50.36 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.481 -0.762 . . . . 0.0 110.106 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -27.37 69.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.225 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 4.5 mt -77.67 -19.07 55.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.383 -0.823 . . . . 0.0 110.484 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 34.1 t80 -68.84 147.11 52.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 110.278 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.27 117.74 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.412 -0.805 . . . . 0.0 110.165 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 51.7 t80 -58.07 -30.37 66.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.45 -0.781 . . . . 0.0 110.262 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -90.35 -63.88 1.21 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.482 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -60.37 -35.92 76.85 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.325 -0.859 . . . . 0.0 110.581 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.63 42.79 31.47 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.887 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -145.19 159.78 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.429 -1.042 . . . . 0.0 110.201 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 61' ' ' LEU . 4.8 mt . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.476 -0.765 . . . . 0.0 110.046 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 25.3 m95 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.138 0.494 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 mt -102.6 160.59 14.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.375 -0.828 . . . . 0.0 110.188 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.3 175.81 1.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.185 -0.947 . . . . 0.0 110.422 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -148.92 87.33 5.45 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.437 -0.79 . . . . 0.0 109.572 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.3 Cg_endo -72.89 -5.69 17.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.903 1.475 . . . . 0.0 111.685 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.868 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -52.24 -63.97 0.97 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.202 -0.936 . . . . 0.0 110.917 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.72 HD21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mp -79.68 -57.74 3.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.387 -0.82 . . . . 0.0 110.472 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 -171.56 44.22 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.33 97.78 1.05 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.9 1.474 . . . . 0.0 110.708 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.839 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 162.5 -31.23 0.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.67 ' CE2' HD22 ' A' ' 11' ' ' LEU . 60.4 m95 -75.08 158.94 32.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.516 -0.991 . . . . 0.0 111.817 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 22.3 mmtt -138.84 149.82 45.34 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.46 145.14 47.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.164 -0.96 . . . . 0.0 110.762 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -140.13 134.89 31.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.698 -0.627 . . . . 0.0 109.412 179.355 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.5 122.89 43.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.195 -0.941 . . . . 0.0 110.16 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 34' ' ' TYR . 16.5 t -108.64 96.87 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.534 -0.729 . . . . 0.0 110.406 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.1 t80 -84.9 42.97 0.96 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.327 -0.858 . . . . 0.0 109.951 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.83 165.06 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.643 0.735 . . . . 0.0 111.033 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -131.8 -33.63 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.013 . . . . 0.0 110.481 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 3.0 t 169.94 -173.38 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.365 -0.834 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.504 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 105.76 -95.01 1.03 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.22 -41.75 0.23 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.43 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 39.8 p -76.71 -1.03 25.87 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.905 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.3 p -44.23 135.02 4.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.544 -0.723 . . . . 0.0 111.661 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.51 -12.77 36.06 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.024 -1.084 . . . . 0.0 110.581 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 12.4 mtt180 -89.28 150.31 22.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.026 -1.279 . . . . 0.0 110.369 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 79.9 p -116.91 105.98 12.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -110.01 128.47 55.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 109.983 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.647 HG22 ' CE2' ' A' ' 35' ' ' TYR . 29.9 m -99.54 122.47 42.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 0.0 110.187 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CD1' HG21 ' A' ' 20' ' ' VAL . 42.2 m-85 -105.1 158.83 16.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.439 -0.788 . . . . 0.0 109.467 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.647 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.4 OUTLIER -140.27 143.8 36.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.111 -0.993 . . . . 0.0 110.975 -179.23 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.449 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -99.77 145.44 27.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.15 178.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.543 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -53.25 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.54 -0.725 . . . . 0.0 110.906 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.839 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.3 Cg_endo -81.86 -8.73 12.16 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.538 1.283 . . . . 0.0 111.431 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -159.96 -7.21 0.06 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.196 -1.402 . . . . 0.0 113.206 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.61 82.01 0.04 OUTLIER Glycine 0 N--CA 1.497 2.713 0 C-N-CA 118.53 -1.795 . . . . 0.0 111.978 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.543 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 t70 172.89 118.48 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.597 -0.943 . . . . 0.0 108.927 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.51 136.35 36.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.26 -0.9 . . . . 0.0 110.883 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.596 HD13 ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -128.5 160.31 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.427 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -140.6 3.68 1.9 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -163.58 -169.36 1.91 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.871 -1.143 . . . . 0.0 110.594 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -79.92 -45.96 17.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 109.471 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 30.8 t -55.13 -45.94 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.468 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -54.12 -37.07 63.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.138 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.783 HD23 HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -69.51 -47.71 62.94 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.325 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -58.53 -21.67 53.01 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.187 0.518 . . . . 0.0 110.028 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.4 mtt180 -74.53 -55.46 5.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 110.204 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.474 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -66.12 -12.8 58.1 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.459 -0.776 . . . . 0.0 110.771 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.694 ' CD1' HD11 ' A' ' 59' ' ' LEU . 52.9 mt -104.2 -1.22 27.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 110.875 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.17 154.12 23.21 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.39 -24.45 26.78 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.759 1.4 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.24 21.93 9.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.306 -0.871 . . . . 0.0 110.126 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -116.12 62.97 0.7 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 0.0 110.077 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 160.38 7.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.783 HD13 HD23 ' A' ' 49' ' ' LEU . 96.8 mt -138.52 67.62 1.4 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.471 -0.768 . . . . 0.0 110.076 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -8.87 57.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.505 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mt -99.25 -19.34 17.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.947 . . . . 0.0 110.569 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.651 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 68.0 t80 -73.9 129.84 38.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.321 -0.862 . . . . 0.0 110.111 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.8 t0 -92.67 122.77 35.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.07 -59.04 6.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.367 -0.833 . . . . 0.0 110.329 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.2 -58.11 9.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.389 -0.819 . . . . 0.0 111.074 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 27.3 mt-30 -66.04 -55.94 14.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.163 -0.961 . . . . 0.0 110.569 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 90.78 50.92 2.77 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.574 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.4 pt -147.45 157.67 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.408 -1.054 . . . . 0.0 110.261 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.8 mt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 109.901 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.429 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 23.0 m95 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.228 0.537 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.66 160.56 16.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.853 . . . . 0.0 110.147 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -72.35 173.27 8.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.209 -0.932 . . . . 0.0 110.393 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -150.18 89.14 4.61 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.42 -0.8 . . . . 0.0 109.685 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.8 Cg_endo -72.34 -4.95 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 O-C-N 123.992 1.522 . . . . 0.0 111.616 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.743 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -59.63 -16.01 23.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.069 -1.02 . . . . 0.0 110.991 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.999 HD11 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -126.5 -69.3 0.77 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.985 -1.072 . . . . 0.0 110.417 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.22 -162.4 27.93 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.11 141.49 32.77 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.829 1.436 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.8 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 106.21 -30.42 9.65 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.971 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 50.8 m95 -66.86 140.72 57.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.44 -1.035 . . . . 0.0 111.664 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 19.0 mmtt -140.13 147.64 40.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.764 -0.585 . . . . 0.0 109.441 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 35' ' ' TYR . 60.2 ttp180 -125.38 150.37 47.29 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 110.586 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 45.3 ttp85 -140.11 140.77 36.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.541 -0.724 . . . . 0.0 109.579 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.91 137.73 37.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 34' ' ' TYR . 24.6 t -121.57 98.04 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.892 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.3 m-85 -80.1 46.16 0.79 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.163 -0.961 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.613 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.82 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.259 -0.9 . . . . 0.0 111.086 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -131.71 -33.42 1.41 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 0.0 110.638 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 167.58 -165.65 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.275 -0.89 . . . . 0.0 110.944 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.87 -73.84 0.47 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.88 -40.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.454 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 24.0 p -77.63 -1.47 31.07 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.606 178.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 11.9 t -41.47 133.33 2.57 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.575 -0.703 . . . . 0.0 111.721 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.47 -15.4 29.8 Favored Glycine 0 N--CA 1.493 2.493 0 C-N-CA 120.011 -1.09 . . . . 0.0 110.751 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 80.0 mtt180 -83.96 166.41 17.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.313 . . . . 0.0 110.301 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 32.1 p -127.0 103.19 7.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.428 -0.795 . . . . 0.0 110.624 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.8 m-20 -99.98 122.17 42.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.496 -0.753 . . . . 0.0 109.786 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.633 HG22 ' CE2' ' A' ' 35' ' ' TYR . 90.7 m -99.01 120.96 40.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 110.078 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 73.2 m-85 -106.6 160.43 15.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.506 -0.746 . . . . 0.0 109.713 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.633 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.9 OUTLIER -138.85 150.53 46.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.028 -1.045 . . . . 0.0 110.865 -179.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.95 138.42 50.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.595 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 4.3 m -53.26 176.31 0.1 Allowed Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 110.288 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.8 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.2 Cg_endo -82.39 0.23 9.85 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.308 1.162 . . . . 0.0 112.259 -178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -165.39 20.28 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.872 -1.531 . . . . 0.0 113.024 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.47 80.04 0.17 Allowed Glycine 0 N--CA 1.495 2.594 0 C-N-CA 118.925 -1.607 . . . . 0.0 112.337 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.595 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 178.06 116.8 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.485 -1.009 . . . . 0.0 109.519 177.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -79.86 137.93 37.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.387 -0.821 . . . . 0.0 110.712 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.882 HG21 HD12 ' A' ' 49' ' ' LEU . 28.3 mt -140.18 150.92 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.509 -0.744 . . . . 0.0 109.413 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.69 -2.74 6.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 111.353 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 m -159.15 -166.73 1.9 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.137 . . . . 0.0 110.429 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -77.08 -47.16 21.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.223 -0.923 . . . . 0.0 110.058 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 3.8 t -51.8 -49.38 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 108.785 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.858 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -51.57 -36.18 44.31 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.264 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.999 HD21 HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -67.14 -44.29 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.035 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.6 m -63.3 -17.51 62.61 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.089 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 15.2 mtp180 -77.84 -63.93 1.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.279 -0.888 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 4.1 t80 -57.93 -27.38 63.32 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.306 -0.871 . . . . 0.0 110.23 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.765 ' CD1' HD11 ' A' ' 59' ' ' LEU . 50.5 mt -83.42 1.8 39.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.393 -0.817 . . . . 0.0 110.439 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.52 154.29 30.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -75.12 -3.87 14.55 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.722 1.38 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.54 -11.71 19.06 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.59 -166.09 0.05 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.027 -1.046 . . . . 0.0 110.244 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -169.55 129.84 1.04 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.814 HD13 HD23 ' A' ' 49' ' ' LEU . 34.7 mt -133.71 43.44 2.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.386 -0.821 . . . . 0.0 109.817 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -21.22 59.88 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.481 -0.762 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.36 -20.1 20.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.4 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.656 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 27.6 t80 -61.22 135.57 57.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.232 -0.918 . . . . 0.0 110.217 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.9 t70 -101.63 135.9 42.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.478 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -74.97 -66.66 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 110.848 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -28.93 23.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 111.26 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.768 ' OE1' HD11 ' A' ' 68' ' ' ILE . 41.2 mt-30 -96.3 -47.98 5.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.176 -0.952 . . . . 0.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.99 47.7 6.08 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.768 HD11 ' OE1' ' A' ' 66' ' ' GLN . 0.9 OUTLIER -145.46 159.64 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.311 -1.111 . . . . 0.0 110.184 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 69' ' ' LEU . 4.6 mt . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 110.063 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 24.1 m95 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.252 0.548 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 148.47 26.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.411 -0.805 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.17 159.9 1.75 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 110.642 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.84 80.73 48.45 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.502 -0.749 . . . . 0.0 109.564 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HG2' HG22 ' A' ' 68' ' ' ILE . 39.4 Cg_endo -70.47 -5.21 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 O-C-N 123.961 1.506 . . . . 0.0 111.371 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.859 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -58.4 -15.65 11.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.244 -0.91 . . . . 0.0 111.027 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.78 ' CD2' HD11 ' A' ' 49' ' ' LEU . 1.1 mp -126.9 -69.1 0.77 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.001 -1.062 . . . . 0.0 110.614 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.28 -178.77 38.7 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.55 91.6 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.858 1.452 . . . . 0.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.807 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 164.31 -31.08 0.25 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.693 ' CH2' HD12 ' A' ' 49' ' ' LEU . 78.2 m95 -72.68 143.74 47.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.485 -1.009 . . . . 0.0 111.469 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 6.2 mmtt -130.97 153.34 49.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.2 148.68 52.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 110.569 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -139.92 160.19 40.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.21 -0.931 . . . . 0.0 110.173 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.15 131.18 55.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.377 -0.827 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.601 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -118.37 95.26 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -83.52 42.41 0.83 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.498 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.37 169.66 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.357 -0.84 . . . . 0.0 111.172 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' SER . 1.2 tppt? -137.76 -32.32 0.75 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.121 -0.987 . . . . 0.0 110.698 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.499 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 6.2 t 169.13 -170.76 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.441 -0.787 . . . . 0.0 110.677 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 104.0 -76.43 0.27 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.16 -40.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.96 . . . . 0.0 108.581 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.433 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 29.9 p -78.5 0.94 24.04 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.539 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.21 135.27 3.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.612 -0.68 . . . . 0.0 111.798 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 -14.21 39.57 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.702 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 54.3 mtt180 -86.03 143.58 28.03 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.029 -1.277 . . . . 0.0 110.278 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 56.7 p -113.17 102.07 10.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.438 -0.789 . . . . 0.0 110.46 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.35 131.35 51.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.772 . . . . 0.0 109.957 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 18' ' ' ARG . 24.8 m -99.28 121.73 41.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD1' HG21 ' A' ' 20' ' ' VAL . 33.5 m-85 -103.08 157.96 16.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.889 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -140.2 155.12 47.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.214 -0.929 . . . . 0.0 110.264 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 29.2 tt0 -115.21 148.73 38.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.846 . . . . 0.0 109.453 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.597 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -54.28 -174.9 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.501 -0.749 . . . . 0.0 110.465 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.807 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 51.4 Cg_endo -81.5 -20.49 6.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 O-C-N 123.483 1.254 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -156.53 15.06 0.3 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.386 -1.325 . . . . 0.0 113.061 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 151.78 83.13 0.04 OUTLIER Glycine 0 N--CA 1.497 2.753 0 C-N-CA 118.492 -1.813 . . . . 0.0 112.426 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.597 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.27 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.68 -0.894 . . . . 0.0 109.202 177.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -98.8 118.44 35.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.26 -0.9 . . . . 0.0 111.205 -179.053 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.409 HG12 ' CH2' ' A' ' 15' ' ' TRP . 1.2 mp -108.47 148.91 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -132.71 1.91 3.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 111.13 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.44 -165.73 0.8 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.891 -1.13 . . . . 0.0 110.967 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.37 -52.31 19.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.287 -0.883 . . . . 0.0 109.531 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 5.7 t -52.24 -57.79 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.592 -0.693 . . . . 0.0 109.378 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -47.99 -46.86 33.15 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.672 0.749 . . . . 0.0 109.62 179.082 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.78 HD11 ' CD2' ' A' ' 11' ' ' LEU . 61.5 tp -63.73 -47.13 82.33 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.726 0.774 . . . . 0.0 109.002 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -61.2 -15.47 34.54 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.691 -0.631 . . . . 0.0 110.324 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.4 mtt180 -79.68 -62.68 1.61 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.117 -0.989 . . . . 0.0 110.73 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 17.6 t80 -53.15 -27.95 23.63 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.216 -0.927 . . . . 0.0 110.56 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.69 HD11 ' CD2' ' A' ' 11' ' ' LEU . 16.4 mt -80.63 -6.65 58.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.372 -0.83 . . . . 0.0 110.826 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.94 156.95 28.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.61 -20.79 26.4 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.959 1.505 . . . . 0.0 110.394 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.66 25.97 4.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 m -127.88 115.24 18.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.807 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -104.54 161.6 13.97 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.34 -0.85 . . . . 0.0 110.213 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 58' ' ' ASP . 29.1 mt -134.63 68.41 1.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -13.64 62.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.326 -0.859 . . . . 0.0 110.605 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 69' ' ' LEU . 52.5 mt -109.61 16.79 21.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.214 -0.929 . . . . 0.0 110.633 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.676 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 92.4 t80 -99.66 114.31 27.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.21 -0.931 . . . . 0.0 110.297 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.16 112.31 20.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.359 -0.838 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.81 -55.67 18.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 56.97 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.543 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HB3' HD11 ' A' ' 68' ' ' ILE . 1.1 mt-30 -176.81 -55.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.348 -0.845 . . . . 0.0 110.128 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 83.83 52.07 3.8 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.859 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pp -159.0 154.45 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.332 -1.099 . . . . 0.0 110.493 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 61' ' ' LEU . 6.4 mt . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 36.0 m95 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.221 0.534 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.43 160.86 19.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.389 -0.82 . . . . 0.0 110.199 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.26 179.68 0.93 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.224 -0.922 . . . . 0.0 110.225 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 15' ' ' TRP . 50.8 t -153.6 88.27 3.67 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.409 -0.807 . . . . 0.0 109.813 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.1 Cg_endo -73.2 -5.27 16.88 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.887 1.467 . . . . 0.0 111.67 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -57.61 -19.2 24.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.016 . . . . 0.0 111.167 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.604 HD21 HD11 ' A' ' 49' ' ' LEU . 1.2 mt -134.75 -61.93 0.75 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.066 -1.021 . . . . 0.0 110.462 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.09 -174.95 31.57 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -83.04 23.26 0.83 Allowed 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.685 1.361 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . -113.33 -24.23 4.84 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.745 ' CH2' HD13 ' A' ' 49' ' ' LEU . 47.9 m95 -75.97 155.26 35.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.417 -1.049 . . . . 0.0 111.776 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 4.6 tptt -137.68 143.75 41.46 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -120.68 135.27 55.17 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.1 -1.0 . . . . 0.0 110.987 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 40.9 ttp85 -130.47 133.87 46.63 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.57 145.9 27.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.107 -0.996 . . . . 0.0 110.413 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 32' ' ' ASP . 13.7 t -130.69 106.06 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.497 -0.752 . . . . 0.0 110.08 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.6 t80 -83.58 50.19 1.74 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.132 -0.98 . . . . 0.0 110.372 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.625 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 48.66 -179.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 111.126 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 24' ' ' SER . 0.0 OUTLIER -143.35 -42.06 0.29 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.343 -0.848 . . . . 0.0 110.225 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 54.8 p 177.15 -163.43 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.29 -0.881 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.0 -91.5 1.31 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.62 -41.98 0.14 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.927 0.87 . . . . 0.0 108.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.429 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 40.9 p -76.4 -1.61 27.82 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.171 0.51 . . . . 0.0 109.967 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 41.7 t -43.97 139.22 2.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.457 -0.777 . . . . 0.0 111.835 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.41 -13.8 54.55 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.662 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.48 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 55.9 mtt180 -88.93 157.03 18.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.268 . . . . 0.0 110.454 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -112.16 129.13 56.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.401 -0.812 . . . . 0.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.486 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.5 m-20 -119.98 126.15 50.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.423 -0.798 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 35' ' ' TYR . 3.1 m -99.52 112.11 24.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -0.799 . . . . 0.0 110.335 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 87.9 m-85 -107.88 146.19 32.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.589 -0.694 . . . . 0.0 109.297 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -140.07 151.76 45.64 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.964 -1.085 . . . . 0.0 110.658 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.369 -0.832 . . . . 0.0 109.829 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.479 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -53.63 -176.39 0.03 OUTLIER Pre-proline 0 N--CA 1.496 1.875 0 O-C-N 121.731 -0.606 . . . . 0.0 110.478 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.0 Cg_endo -80.47 -24.38 5.34 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 123.499 1.263 . . . . 0.0 111.19 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.0 t -149.88 5.86 0.6 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.359 -1.336 . . . . 0.0 113.145 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.05 82.65 0.04 OUTLIER Glycine 0 N--CA 1.496 2.684 0 C-N-CA 118.42 -1.848 . . . . 0.0 112.073 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.37 127.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.411 -1.052 . . . . 0.0 110.275 178.039 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' O ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -81.92 119.78 24.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.436 -0.79 . . . . 0.0 109.881 179.772 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 48' ' ' GLU . 45.9 mm -122.3 154.3 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.829 . . . . 0.0 109.752 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -134.96 -15.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 111.589 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -145.1 -161.77 1.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.936 -1.102 . . . . 0.0 110.941 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' N ' ' OG ' ' A' ' 45' ' ' SER . 11.1 ttpt -78.97 -40.9 30.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 9.9 t -60.84 -59.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.391 -0.818 . . . . 0.0 109.291 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.676 ' HB3' HG23 ' A' ' 43' ' ' ILE . 2.9 tp10 -48.59 -37.28 17.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.43 -0.794 . . . . 0.0 109.304 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.745 HD13 ' CH2' ' A' ' 15' ' ' TRP . 3.3 tp -71.08 -47.82 56.11 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 57' ' ' CYS . 23.3 m -56.05 -28.35 57.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.449 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.446 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.8 mtt180 -64.54 -55.74 18.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.407 -0.808 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 10.5 t80 -54.34 -25.15 22.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -0.821 . . . . 0.0 109.771 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.845 ' CD1' HD11 ' A' ' 59' ' ' LEU . 16.1 mt -88.92 -18.31 27.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.517 -0.739 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.8 156.15 8.84 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.15 -11.54 31.88 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.827 1.435 . . . . 0.0 110.627 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.89 26.69 9.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 109.987 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.853 ' O ' HG23 ' A' ' 50' ' ' THR . 8.1 m -115.21 77.97 1.12 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.26 166.83 20.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.852 . . . . 0.0 110.11 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.845 HD11 ' CD1' ' A' ' 53' ' ' LEU . 58.0 mt -143.91 65.69 1.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.819 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -17.89 54.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -0.788 . . . . 0.0 110.565 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.47 -34.08 17.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.639 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.695 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 36.3 t80 -63.68 119.34 9.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.207 -0.933 . . . . 0.0 110.143 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.36 143.1 32.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.405 -0.81 . . . . 0.0 110.214 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -82.93 -33.31 26.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.202 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -85.22 -30.75 23.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.27 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -95.91 -39.21 9.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.94 44.49 36.81 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.822 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -144.5 160.1 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.386 -1.067 . . . . 0.0 110.196 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 69' ' ' LEU . 3.9 mt . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.368 -0.832 . . . . 0.0 109.748 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.5 m95 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.224 0.535 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.12 160.47 16.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.29 -0.881 . . . . 0.0 110.257 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.59 165.05 10.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.144 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -144.95 84.9 8.54 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.402 -0.811 . . . . 0.0 109.845 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.879 1.463 . . . . 0.0 111.436 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.792 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -54.9 -25.56 29.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 110.782 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.779 HD21 ' HG ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -117.4 -69.53 0.85 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.372 -0.83 . . . . 0.0 110.514 -179.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.86 -170.93 36.39 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.18 110.95 3.16 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.881 1.464 . . . . 0.0 110.678 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.742 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.36 -39.72 1.4 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.705 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 83.1 m95 -60.58 149.62 34.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.509 -0.995 . . . . 0.0 111.193 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -136.6 153.34 50.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.433 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' NH2' ' CE2' ' A' ' 35' ' ' TYR . 44.7 ttm-85 -124.68 142.39 51.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.612 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -137.18 137.18 38.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.675 -0.641 . . . . 0.0 109.291 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.5 133.48 43.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 110.245 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 34' ' ' TYR . 11.2 t -118.18 103.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.4 -0.812 . . . . 0.0 110.215 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.77 49.0 1.68 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.388 -0.82 . . . . 0.0 109.918 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER 48.56 175.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 111.413 179.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 24' ' ' SER . 7.0 tppt? -139.38 -37.58 0.5 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER 169.92 -172.33 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.348 -0.845 . . . . 0.0 110.881 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -94.57 1.09 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.76 -44.39 0.16 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.674 -0.898 . . . . 0.0 108.9 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.534 ' HB ' ' NH1' ' A' ' 22' ' ' ARG . 63.2 p -75.06 -4.1 36.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.885 -0.509 . . . . 0.0 109.782 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 48.5 t -47.54 150.76 0.91 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.524 -0.735 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.56 -19.99 48.3 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 55.7 mtt-85 -83.86 160.44 21.15 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.052 -1.263 . . . . 0.0 110.481 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 35.9 p -122.96 95.64 4.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.437 -0.789 . . . . 0.0 110.214 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -99.93 129.44 46.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.482 HG22 ' CE2' ' A' ' 35' ' ' TYR . 16.0 m -99.05 128.57 45.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.842 . . . . 0.0 110.225 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.55 ' CD1' HG21 ' A' ' 20' ' ' VAL . 30.2 m-85 -108.53 154.23 22.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.485 -0.759 . . . . 0.0 109.621 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.503 ' CE2' ' NH2' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -140.16 148.42 41.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.062 -1.024 . . . . 0.0 110.827 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.16 151.32 25.56 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.525 -0.734 . . . . 0.0 109.755 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.539 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.2 p -56.78 -174.48 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.446 -0.784 . . . . 0.0 110.226 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.742 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.7 Cg_endo -83.64 -12.06 8.95 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.429 1.226 . . . . 0.0 111.71 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -167.65 39.7 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.41 -1.316 . . . . 0.0 112.623 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 123.55 86.05 0.73 Allowed Glycine 0 N--CA 1.495 2.592 0 C-N-CA 119.394 -1.384 . . . . 0.0 111.717 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.539 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 164.73 112.82 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.522 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -79.89 119.56 22.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.322 -0.861 . . . . 0.0 111.078 -178.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.587 HG23 ' HB3' ' A' ' 48' ' ' GLU . 1.2 mp -110.96 145.85 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -126.52 -2.08 6.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.149 -0.97 . . . . 0.0 111.013 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.35 -162.19 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.009 -1.057 . . . . 0.0 110.564 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -78.08 -47.27 18.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 6.9 t -52.91 -50.24 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 108.789 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.587 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.68 -36.61 57.43 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.207 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.962 HD23 HD13 ' A' ' 59' ' ' LEU . 4.1 tp -67.46 -41.94 83.86 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -64.47 -21.76 66.76 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.831 -0.543 . . . . 0.0 109.808 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -71.89 -57.13 4.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -0.844 . . . . 0.0 110.074 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.486 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 12.5 t80 -58.2 -33.56 69.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.337 -0.852 . . . . 0.0 110.031 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.907 ' CD1' HD11 ' A' ' 59' ' ' LEU . 13.9 mt -80.54 -15.94 55.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.447 -0.783 . . . . 0.0 110.506 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.87 156.67 17.92 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.77 -18.29 37.02 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 O-C-N 123.818 1.431 . . . . 0.0 110.44 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.32 24.6 6.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 0.0 109.994 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.8 m -131.44 92.5 3.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 110.163 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.68 166.07 21.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.32 -0.862 . . . . 0.0 110.324 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.962 HD13 HD23 ' A' ' 49' ' ' LEU . 96.0 mt -138.99 66.35 1.42 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 109.719 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -1.09 33.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.437 -0.789 . . . . 0.0 110.874 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.9 mt -115.49 3.24 14.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -0.996 . . . . 0.0 110.69 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.75 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 38.3 t80 -88.17 130.69 34.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 109.903 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -93.45 109.62 21.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -0.808 . . . . 0.0 109.871 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.71 -29.33 62.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.409 -0.807 . . . . 0.0 110.864 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -86.86 -47.07 9.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 111.179 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 13.6 mp0 -75.87 -54.58 6.69 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.792 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 99.56 51.77 1.28 Allowed Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.663 ' N ' ' HB2' ' A' ' 10' ' ' ALA . 5.6 pt -154.36 149.43 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -1.083 . . . . 0.0 110.169 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 10' ' ' ALA . 4.6 mt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.8 m95 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.176 0.512 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 mt -110.49 160.18 16.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.417 -0.802 . . . . 0.0 110.278 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.35 -179.95 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.332 -0.855 . . . . 0.0 110.235 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.8 t -154.26 88.81 3.39 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.603 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.5 Cg_endo -71.38 -6.77 19.88 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.934 1.491 . . . . 0.0 111.412 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.766 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -57.28 -18.06 14.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.97 . . . . 0.0 110.816 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.9 HD22 ' CZ2' ' A' ' 15' ' ' TRP . 4.0 mp -128.52 -68.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.103 -0.998 . . . . 0.0 110.495 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.18 -156.79 17.5 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.99 142.7 31.67 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.86 1.453 . . . . 0.0 110.959 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 99.66 -32.78 6.83 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.9 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 61.6 m95 -65.07 140.38 58.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.37 -1.077 . . . . 0.0 111.45 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -133.72 141.88 47.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.685 -0.634 . . . . 0.0 109.395 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -127.54 142.76 51.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.166 -0.959 . . . . 0.0 110.747 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 5.1 tpt180 -141.16 150.18 42.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.414 -0.804 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.32 155.8 17.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 0.0 109.824 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -139.35 96.67 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.902 . . . . 0.0 109.856 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ARG . 27.7 t80 -79.74 48.74 0.97 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.174 -0.954 . . . . 0.0 110.719 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.631 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 49.61 176.86 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.297 -0.877 . . . . 0.0 110.89 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.2 tppt? -144.17 -31.92 0.44 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 110.687 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 171.09 -179.31 0.05 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.302 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.99 -95.26 0.94 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.66 -43.08 0.21 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.695 -0.886 . . . . 0.0 108.641 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.436 ' CB ' ' NH2' ' A' ' 22' ' ' ARG . 44.4 p -74.41 -2.37 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.872 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.631 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.67 136.66 3.32 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.477 -0.765 . . . . 0.0 111.599 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.21 -16.63 32.33 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.103 -1.046 . . . . 0.0 110.575 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 26.7 mtt180 -84.08 164.05 19.47 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.109 -1.23 . . . . 0.0 110.467 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 1.3 t -126.58 107.68 10.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -108.85 127.37 53.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 110.091 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.53 HG22 ' CE2' ' A' ' 35' ' ' TYR . 46.9 m -98.87 123.2 42.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.416 -0.802 . . . . 0.0 109.942 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CD1' HG21 ' A' ' 20' ' ' VAL . 72.0 m-85 -109.47 154.43 22.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.464 -0.772 . . . . 0.0 109.898 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.53 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -140.21 151.34 45.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.355 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -112.11 147.69 35.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.377 -0.827 . . . . 0.0 109.348 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 41' ' ' ASP . 32.4 p -53.97 179.57 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.324 -0.86 . . . . 0.0 109.987 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.2 Cg_endo -85.74 -1.08 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 123.421 1.222 . . . . 0.0 111.805 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.04 15.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.948 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 140.54 82.52 0.08 OUTLIER Glycine 0 N--CA 1.496 2.667 0 C-N-CA 118.828 -1.653 . . . . 0.0 112.069 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.32 113.64 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.663 -0.904 . . . . 0.0 109.087 178.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.4 mmm-85 -79.7 116.42 19.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.276 -0.89 . . . . 0.0 111.034 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.808 HG21 HD12 ' A' ' 49' ' ' LEU . 48.3 mm -105.53 151.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.63 -0.669 . . . . 0.0 109.267 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -24.25 3.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 111.112 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.424 ' HG ' ' HE2' ' A' ' 64' ' ' PHE . 1.4 m -142.09 -160.26 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.982 . . . . 0.0 110.603 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -80.15 -46.54 16.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.216 -0.927 . . . . 0.0 110.043 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.2 t -55.18 -53.38 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.948 . . . . 0.0 109.266 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.795 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.27 -37.97 38.73 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.771 0.796 . . . . 0.0 108.877 178.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.895 HD21 HD21 ' A' ' 11' ' ' LEU . 1.4 tp -69.22 -47.56 64.43 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.0 m -61.19 -17.29 52.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.744 -0.597 . . . . 0.0 110.282 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.3 mtm180 -79.06 -61.3 2.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.264 -0.897 . . . . 0.0 110.491 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 2.8 t80 -57.55 -20.63 33.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.369 -0.832 . . . . 0.0 110.695 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.615 HD11 HD23 ' A' ' 11' ' ' LEU . 42.6 mt -93.08 -3.47 54.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.225 -0.922 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.61 157.9 33.69 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.49 -22.81 24.25 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 O-C-N 123.831 1.437 . . . . 0.0 110.506 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.32 -10.51 59.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.304 -0.872 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.32 82.82 1.79 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 110.441 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.56 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.3 m-20 -71.85 159.83 33.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 110.014 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.88 HD13 HD23 ' A' ' 49' ' ' LEU . 89.7 mt -138.36 67.04 1.42 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 0.0 110.048 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.86 1.68 38.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.375 -0.828 . . . . 0.0 110.575 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -112.38 -24.44 9.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.154 -0.966 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.737 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 51.4 t80 -55.41 144.53 25.18 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.363 -0.836 . . . . 0.0 110.355 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.6 t70 -110.25 119.77 40.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.507 -0.746 . . . . 0.0 109.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HE2' ' HG ' ' A' ' 45' ' ' SER . 33.0 t80 -67.4 -32.66 73.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.611 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.66 22.06 3.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.428 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 52.0 mt-30 -151.06 -41.03 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.106 -0.997 . . . . 0.0 110.394 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 83.03 53.35 3.51 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.766 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 1.8 pp -156.06 159.42 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.519 -0.989 . . . . 0.0 110.351 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 69' ' ' LEU . 5.2 mt . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.464 -0.772 . . . . 0.0 110.009 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.1 m95 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.139 0.495 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -105.99 160.37 15.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.097 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -58.6 170.73 0.72 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.201 -0.937 . . . . 0.0 110.108 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.0 t -153.56 88.93 3.59 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.2 -0.937 . . . . 0.0 110.127 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.4 Cg_endo -73.55 -5.27 16.82 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 O-C-N 123.973 1.512 . . . . 0.0 111.44 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.766 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -58.89 -16.51 17.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.917 . . . . 0.0 111.116 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.861 HD11 HD21 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -129.69 -64.71 0.87 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.001 -1.062 . . . . 0.0 110.613 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.34 -163.74 29.81 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.64 146.39 43.48 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.97 1.511 . . . . 0.0 110.556 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.706 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 96.52 -32.9 6.06 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.779 ' CE3' HD13 ' A' ' 11' ' ' LEU . 39.3 m95 -60.88 143.83 54.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.424 -1.045 . . . . 0.0 111.41 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -137.42 149.57 47.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.614 -0.679 . . . . 0.0 109.801 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -130.88 150.3 52.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.207 -0.933 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 136.35 34.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.48 -0.762 . . . . 0.0 109.852 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.56 135.48 40.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.85 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.1 t -120.58 100.78 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.441 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.07 45.97 1.23 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.223 -0.923 . . . . 0.0 110.047 179.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.623 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 50.12 171.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.504 -0.748 . . . . 0.0 111.22 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.1 tppt? -140.26 -32.95 0.58 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 110.672 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.8 p 171.69 -173.56 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.12 -0.987 . . . . 0.0 111.254 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.76 -94.92 1.13 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.92 -41.5 0.21 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.691 -0.888 . . . . 0.0 108.732 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.433 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 41.1 p -76.37 -1.6 27.67 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.856 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.623 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.8 p -44.53 134.75 5.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.461 -0.775 . . . . 0.0 111.583 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.4 33.05 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.064 -1.065 . . . . 0.0 110.579 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.473 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 66.5 mtt85 -85.85 173.71 9.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.984 -1.304 . . . . 0.0 110.282 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 4.1 p -135.04 99.65 4.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.447 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 79.3 m-20 -99.96 126.37 46.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.376 -0.827 . . . . 0.0 110.137 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.642 HG22 ' CE2' ' A' ' 35' ' ' TYR . 40.2 m -99.24 125.24 44.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.501 -0.749 . . . . 0.0 110.13 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CD1' HG21 ' A' ' 20' ' ' VAL . 57.2 m-85 -109.38 155.94 20.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.526 -0.734 . . . . 0.0 109.928 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -140.28 153.11 46.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.508 -179.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -121.76 143.64 49.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.446 -0.784 . . . . 0.0 109.12 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.538 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 43.4 m -52.89 175.36 0.11 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.299 -0.876 . . . . 0.0 109.931 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.706 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.7 Cg_endo -83.53 1.05 9.17 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.389 1.205 . . . . 0.0 112.408 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.437 HG22 ' OH ' ' A' ' 52' ' ' TYR . 8.9 t -164.75 23.66 0.06 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 117.839 -1.544 . . . . 0.0 113.096 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 129.84 86.09 0.43 Allowed Glycine 0 N--CA 1.495 2.624 0 C-N-CA 119.036 -1.554 . . . . 0.0 111.937 177.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.481 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.3 OUTLIER 168.96 116.52 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.743 -0.857 . . . . 0.0 109.069 178.272 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.72 138.07 37.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.344 -0.847 . . . . 0.0 110.78 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.845 HG23 ' HB3' ' A' ' 48' ' ' GLU . 28.9 mt -138.28 152.53 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.587 -0.696 . . . . 0.0 109.187 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -133.46 -1.57 3.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.621 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -161.18 -165.61 1.38 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.694 -1.254 . . . . 0.0 111.519 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -49.31 49.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.717 -0.615 . . . . 0.0 110.081 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.594 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 2.3 t -53.53 -56.99 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.965 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.845 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -49.52 -40.3 37.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.348 -0.845 . . . . 0.0 109.285 179.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.974 HD23 HD13 ' A' ' 59' ' ' LEU . 1.8 tp -63.79 -39.32 93.96 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 90.8 m -69.4 -13.91 62.62 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.877 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 7.5 mmt180 -77.47 -59.27 2.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.185 -0.947 . . . . 0.0 109.996 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 12.6 t80 -56.89 -37.14 70.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.34 -0.85 . . . . 0.0 110.082 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.965 ' CD1' HD11 ' A' ' 59' ' ' LEU . 17.9 mt -75.47 -6.28 49.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.485 -0.759 . . . . 0.0 110.594 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.11 152.67 24.81 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.28 -26.88 20.33 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 O-C-N 123.77 1.405 . . . . 0.0 110.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.09 -17.81 48.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.25 -0.906 . . . . 0.0 110.247 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.54 137.82 32.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.266 -0.896 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -116.49 172.97 6.87 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.974 HD13 HD23 ' A' ' 49' ' ' LEU . 82.5 mt -141.34 52.66 1.55 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.486 -0.758 . . . . 0.0 110.007 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -15.62 58.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.332 -0.855 . . . . 0.0 110.697 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.493 ' O ' HD23 ' A' ' 69' ' ' LEU . 9.7 mt -102.09 13.21 35.36 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.152 -0.968 . . . . 0.0 110.66 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.743 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 42.4 t80 -107.35 113.78 27.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.121 -0.987 . . . . 0.0 110.292 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 66' ' ' GLN . 1.3 m-20 -82.21 116.23 21.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.525 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -50.04 -58.1 6.22 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.361 -0.837 . . . . 0.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -59.11 -55.22 37.84 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.207 -0.933 . . . . 0.0 110.722 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 1.6 mm100 -59.28 -56.51 21.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.206 -0.934 . . . . 0.0 110.603 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.1 40.93 6.4 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.766 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pp -149.03 171.11 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.53 -0.983 . . . . 0.0 110.236 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 61' ' ' LEU . 5.3 mt . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.492 -0.755 . . . . 0.0 109.776 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.465 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 7.4 m95 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.22 0.533 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.0 mt -99.62 160.29 14.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -0.818 . . . . 0.0 109.85 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.33 177.69 0.25 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.98 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.42 87.62 4.84 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 109.82 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.659 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.8 Cg_endo -72.56 -6.87 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.921 1.485 . . . . 0.0 111.323 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.824 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -56.95 -19.49 18.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.173 -0.954 . . . . 0.0 110.919 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' CD2' HD11 ' A' ' 53' ' ' LEU . 1.3 mp -129.09 -66.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.167 -0.958 . . . . 0.0 110.799 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.97 -169.59 36.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.17 109.94 3.02 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.886 1.466 . . . . 0.0 110.767 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.795 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 144.57 -39.59 1.21 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.725 ' CH2' HD12 ' A' ' 49' ' ' LEU . 67.7 m95 -65.18 136.62 56.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.503 -0.998 . . . . 0.0 111.066 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -122.74 146.88 47.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.57 -0.707 . . . . 0.0 109.547 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -119.24 146.35 45.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.406 -0.809 . . . . 0.0 110.349 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 1.3 ttp-105 -139.96 135.23 32.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.503 -0.748 . . . . 0.0 109.687 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.58 125.71 45.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.311 -0.868 . . . . 0.0 110.249 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 34' ' ' TYR . 18.1 t -110.06 99.57 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.423 -0.798 . . . . 0.0 110.023 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -83.63 45.38 1.05 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.277 -0.889 . . . . 0.0 110.594 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 50.38 172.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -138.63 -33.02 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.129 -0.982 . . . . 0.0 110.683 179.729 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.7 p 164.83 -169.85 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.392 -0.817 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -93.24 0.96 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.21 12.94 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.782 -0.834 . . . . 0.0 109.789 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.481 HG22 ' NH2' ' A' ' 30' ' ' ARG . 18.0 p -139.23 11.82 2.58 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.53 -0.731 . . . . 0.0 109.594 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.57 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 3.6 t -51.34 130.07 26.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.45 -0.781 . . . . 0.0 111.284 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.43 -16.61 16.99 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.816 -1.183 . . . . 0.0 111.02 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.567 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 87.1 mtt180 -82.38 158.35 23.37 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.875 -1.368 . . . . 0.0 110.168 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 25.5 p -124.71 104.07 8.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.476 -0.765 . . . . 0.0 110.731 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.424 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 6.7 m-20 -103.98 126.58 51.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.86 . . . . 0.0 109.76 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.651 HG22 ' CE2' ' A' ' 35' ' ' TYR . 60.4 m -98.71 121.6 40.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 110.215 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CD1' HG21 ' A' ' 20' ' ' VAL . 65.7 m-85 -105.81 156.68 18.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.507 -0.745 . . . . 0.0 109.734 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.651 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -140.49 143.66 35.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.158 -0.964 . . . . 0.0 110.741 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 38.8 tt0 -107.22 149.09 28.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 109.171 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.551 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -51.49 -178.96 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.501 -0.749 . . . . 0.0 110.901 -179.585 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.795 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.2 Cg_endo -83.52 -9.72 10.06 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 O-C-N 123.739 1.389 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 t -166.68 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.665 -1.214 . . . . 0.0 112.497 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.52 84.56 0.1 Allowed Glycine 0 N--CA 1.497 2.741 0 C-N-CA 119.014 -1.565 . . . . 0.0 112.048 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.551 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.2 OUTLIER 172.8 121.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.523 -0.987 . . . . 0.0 109.105 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.769 ' O ' HD12 ' A' ' 43' ' ' ILE . 4.4 mmt180 -79.79 128.11 33.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.264 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 42' ' ' ARG . 1.2 mp -129.27 147.66 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.28 7.15 3.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.949 . . . . 0.0 110.994 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -169.94 -171.99 1.27 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.018 -1.051 . . . . 0.0 110.553 -179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' N ' ' OG ' ' A' ' 45' ' ' SER . 17.9 ttpt -73.84 -42.29 61.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.851 . . . . 0.0 108.746 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 37.9 t -59.55 -54.12 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -51.76 -38.9 57.36 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.302 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.725 HD12 ' CH2' ' A' ' 15' ' ' TRP . 12.1 tp -66.31 -47.47 73.47 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -61.97 -17.48 57.14 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.795 -0.566 . . . . 0.0 110.077 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -75.81 -60.15 2.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 4.4 t80 -60.42 -19.88 57.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.055 -1.028 . . . . 0.0 110.073 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 ' CD2' ' A' ' 11' ' ' LEU . 26.4 mt -96.09 -15.37 22.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 110.288 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.28 155.32 23.49 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.98 -31.01 15.77 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 O-C-N 123.781 1.411 . . . . 0.0 110.119 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.48 62.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 109.865 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.92 54.45 2.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.473 -0.767 . . . . 0.0 110.093 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.7 p-10 -51.94 171.18 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -0.851 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.648 ' CD1' HD23 ' A' ' 49' ' ' LEU . 97.3 mt -145.2 63.75 1.28 Allowed 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.567 -0.708 . . . . 0.0 109.814 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -13.35 61.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.525 -0.735 . . . . 0.0 110.834 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.52 -28.85 13.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.184 -0.947 . . . . 0.0 110.444 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.647 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 33.5 t80 -58.38 111.27 1.17 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.266 -0.896 . . . . 0.0 110.198 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.22 132.14 35.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -68.28 -28.57 67.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.377 -0.827 . . . . 0.0 110.474 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -90.17 -31.68 16.95 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -96.01 -42.58 8.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.139 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.824 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 65.1 67.11 2.15 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.659 HG22 ' HG2' ' A' ' 9' ' ' PRO . 4.4 pt -156.13 24.33 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.387 -1.067 . . . . 0.0 110.767 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 10' ' ' ALA . 2.7 mt . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.185 -0.947 . . . . 0.0 110.359 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.435 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 26.5 m95 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.266 0.555 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt -132.93 160.72 36.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.413 -0.804 . . . . 0.0 110.181 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -64.35 174.17 1.76 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.299 -0.876 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.3 t -150.2 87.11 5.03 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.399 -0.813 . . . . 0.0 109.852 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.0 Cg_endo -72.66 -6.32 18.81 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.893 1.47 . . . . 0.0 111.456 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.874 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -62.61 -13.25 29.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.122 -0.986 . . . . 0.0 110.977 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.653 HD13 ' CD2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -131.19 -66.38 0.74 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.067 . . . . 0.0 110.731 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.5 -166.51 35.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.49 105.94 2.15 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.799 1.421 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.835 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 145.81 -36.57 1.32 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.653 ' CD2' HD13 ' A' ' 11' ' ' LEU . 66.0 m95 -68.9 144.19 54.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.52 -0.988 . . . . 0.0 111.084 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 6.2 mptt -133.08 149.49 52.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.586 -0.696 . . . . 0.0 109.409 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HD3' ' HA3' ' A' ' 67' ' ' GLY . 29.0 ttp85 -131.97 138.65 48.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.847 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 4.9 tpt180 -137.21 140.32 41.65 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.49 144.8 28.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.5 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 34' ' ' TYR . 15.2 t -126.37 102.65 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.529 -0.732 . . . . 0.0 109.915 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -81.83 52.52 1.95 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.147 -0.971 . . . . 0.0 110.329 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 47.43 -179.14 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.782 0.801 . . . . 0.0 111.38 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.8 tmmt? -136.96 -40.14 0.6 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.536 -0.728 . . . . 0.0 109.679 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 165.28 -178.95 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.498 -0.751 . . . . 0.0 110.647 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 111.76 -95.33 0.8 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.62 -43.6 0.4 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.692 -0.887 . . . . 0.0 108.911 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.467 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 74.4 p -77.52 -0.76 27.41 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.933 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 47.0 t -44.51 141.24 2.03 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.43 -0.794 . . . . 0.0 111.515 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.99 -15.25 59.54 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.537 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.2 mpt_? -83.32 136.83 34.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.246 -1.149 . . . . 0.0 109.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 p -99.95 103.01 14.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.351 -0.843 . . . . 0.0 110.544 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.448 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.3 m-20 -99.67 120.51 39.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.639 HG22 ' CE2' ' A' ' 35' ' ' TYR . 91.4 m -98.86 125.94 44.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CD1' HG21 ' A' ' 20' ' ' VAL . 52.6 m-85 -107.21 157.0 18.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.567 -0.708 . . . . 0.0 109.626 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.639 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.6 OUTLIER -139.16 160.43 39.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.151 -0.968 . . . . 0.0 110.622 -179.105 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -124.5 144.99 49.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.76 . . . . 0.0 109.868 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 41' ' ' ASP . 4.8 p -51.89 178.24 0.05 OUTLIER Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.586 -0.697 . . . . 0.0 110.187 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.835 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.0 Cg_endo -83.93 -0.92 9.8 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.217 1.114 . . . . 0.0 111.493 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -167.22 19.24 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.296 -1.362 . . . . 0.0 113.195 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 140.56 86.43 0.11 Allowed Glycine 0 N--CA 1.5 2.905 0 C-N-CA 118.817 -1.659 . . . . 0.0 112.115 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.589 ' N ' ' OG ' ' A' ' 37' ' ' SER . 0.2 OUTLIER 169.66 135.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.636 -0.92 . . . . 0.0 109.458 178.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -95.08 110.89 22.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.858 . . . . 0.0 110.556 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.426 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 1.3 mp -101.7 139.41 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.348 -0.845 . . . . 0.0 109.323 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -120.4 -0.72 10.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 110.697 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.65 -156.92 0.18 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.11 -0.994 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.794 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.2 ttpt -80.09 -44.07 20.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.24 -0.912 . . . . 0.0 110.195 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.5 t -61.3 -44.2 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.327 -0.858 . . . . 0.0 110.096 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -56.53 -45.81 80.93 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.264 -0.898 . . . . 0.0 110.277 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.046 HD21 HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -75.86 -38.78 57.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.384 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.528 ' N ' HD23 ' A' ' 49' ' ' LEU . 53.5 m -59.31 -51.11 71.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -0.782 . . . . 0.0 110.111 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.248 -0.907 . . . . 0.0 110.527 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CE1' ' CG ' ' A' ' 41' ' ' ASP . 5.7 t80 -65.07 -24.65 67.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.8 -1.187 . . . . 0.0 109.614 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.499 ' CD1' HD11 ' A' ' 59' ' ' LEU . 18.4 mt -93.69 4.03 54.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.421 -0.799 . . . . 0.0 110.253 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.22 153.96 9.66 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.15 -28.38 23.43 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.813 1.428 . . . . 0.0 109.942 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.53 15.95 27.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.476 -0.765 . . . . 0.0 109.952 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -101.55 49.3 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.314 -0.866 . . . . 0.0 110.092 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.6 m-20 -57.38 168.57 0.75 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 0.0 110.272 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.046 HD12 HD21 ' A' ' 49' ' ' LEU . 92.3 mt -140.48 64.99 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.904 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -27.94 66.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.413 -0.805 . . . . 0.0 110.219 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.27 -31.0 43.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.607 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 18.7 t80 -65.15 116.94 7.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.237 -0.914 . . . . 0.0 109.864 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 0.9 OUTLIER -86.23 129.16 34.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 109.62 179.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.54 -61.72 2.41 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 110.329 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -57.24 13.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.234 -0.916 . . . . 0.0 110.797 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' HB3' ' CG1' ' A' ' 68' ' ' ILE . 14.2 mt-30 -61.99 -49.49 75.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 110.553 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 76.94 48.49 8.46 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.874 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -154.17 157.46 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.51 -0.994 . . . . 0.0 110.236 -179.651 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 69' ' ' LEU . 6.8 mt . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.381 -0.825 . . . . 0.0 109.608 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 3.3 m95 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.232 0.539 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -118.1 160.5 21.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.443 -0.786 . . . . 0.0 110.23 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -71.54 153.3 42.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.881 . . . . 0.0 110.674 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -131.35 80.64 67.33 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.596 -0.69 . . . . 0.0 109.303 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.99 -5.62 17.39 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 O-C-N 123.986 1.519 . . . . 0.0 112.049 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -53.52 -47.16 70.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.961 -1.087 . . . . 0.0 110.585 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.69 HD11 HD21 ' A' ' 49' ' ' LEU . 1.6 mp -94.05 -66.24 0.93 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.808 . . . . 0.0 110.521 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.02 -171.5 37.77 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.9 105.63 2.11 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.947 1.499 . . . . 0.0 110.793 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.784 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.28 -28.74 0.71 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.54 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 71.4 m95 -75.31 154.93 37.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.437 -1.037 . . . . 0.0 111.936 -178.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -140.3 154.14 46.7 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.229 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 8.8 ttp180 -123.54 140.79 52.64 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 110.82 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 5' ' ' TRP . 16.7 ttp180 -140.62 135.31 31.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.66 -0.65 . . . . 0.0 109.445 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.46 139.98 34.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 109.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.578 HG21 ' CD1' ' A' ' 34' ' ' TYR . 6.8 t -125.82 101.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.496 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 0.6 OUTLIER -85.74 48.53 1.61 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.587 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER 49.64 178.33 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.45 -0.781 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' SER . 16.9 ttpt -138.78 -35.58 0.57 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 110.108 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.5 t 161.37 -171.52 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.644 -0.66 . . . . 0.0 110.116 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.502 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.3 -61.96 0.31 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 25' ' ' GLY . . . -178.89 -39.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.568 -0.96 . . . . 0.0 108.565 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.423 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 22.1 p -82.72 3.31 29.7 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.171 0.51 . . . . 0.0 109.67 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.2 t -45.32 136.1 5.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.725 . . . . 0.0 111.773 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.85 -19.1 28.48 Favored Glycine 0 N--CA 1.495 2.583 0 C-N-CA 120.046 -1.074 . . . . 0.0 110.967 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.525 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 11.4 mtp180 -78.68 146.19 34.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.94 -1.33 . . . . 0.0 110.448 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 90.1 p -118.46 98.3 6.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.421 -0.799 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -105.25 135.53 46.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 110.149 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.412 HG21 ' OH ' ' A' ' 35' ' ' TYR . 1.9 m -99.47 127.51 45.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 110.026 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.578 ' CD1' HG21 ' A' ' 20' ' ' VAL . 28.2 m-85 -109.79 136.39 49.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.531 -0.731 . . . . 0.0 109.489 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 30.5 m-85 -121.79 145.11 48.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.237 -0.914 . . . . 0.0 110.667 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 15' ' ' TRP . 24.8 tt0 -99.91 141.83 32.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 108.799 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.514 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 5.1 p -55.19 -174.66 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.488 -0.757 . . . . 0.0 110.185 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.784 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.3 Cg_endo -81.36 -14.9 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.409 1.215 . . . . 0.0 110.993 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.42 44.19 0.06 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.493 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 121.62 92.66 1.21 Allowed Glycine 0 N--CA 1.497 2.753 0 C-N-CA 119.583 -1.294 . . . . 0.0 112.104 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER 154.79 131.55 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -100.26 129.36 46.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 0.0 110.786 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 48' ' ' GLU . 1.2 mp -111.61 155.48 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.505 -0.747 . . . . 0.0 109.444 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -143.21 11.36 1.74 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.373 -0.829 . . . . 0.0 110.52 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -172.35 -168.5 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.033 -1.042 . . . . 0.0 110.541 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -75.65 -46.84 29.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 55.5 t -56.91 -49.24 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.569 -0.707 . . . . 0.0 109.3 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -51.32 -52.57 44.11 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.624 -0.672 . . . . 0.0 109.938 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.797 HD23 ' CD1' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -59.86 -42.97 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 108.955 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -61.66 -18.04 57.91 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.706 -0.622 . . . . 0.0 110.24 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.491 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt-85 -78.02 -61.63 1.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 11.4 t80 -54.26 -24.69 19.72 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.25 -0.906 . . . . 0.0 110.148 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.955 ' CD1' HD11 ' A' ' 59' ' ' LEU . 30.1 mt -86.46 -19.53 29.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.407 -0.808 . . . . 0.0 110.238 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.46 156.49 13.86 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.4 -19.94 32.42 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 O-C-N 123.843 1.443 . . . . 0.0 110.402 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.23 26.67 5.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 0.0 110.008 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.82 79.03 1.77 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.788 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -77.03 165.7 24.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.117 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.955 HD11 ' CD1' ' A' ' 53' ' ' LEU . 39.7 mt -138.12 59.87 1.64 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.848 . . . . 0.0 110.041 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -19.18 36.35 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.676 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.458 ' C ' HD23 ' A' ' 69' ' ' LEU . 12.2 mt -97.08 7.62 46.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.181 -0.949 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.457 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 66.1 t80 -102.25 119.08 38.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.054 -1.029 . . . . 0.0 110.23 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.13 133.56 36.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.399 -0.813 . . . . 0.0 110.115 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 45' ' ' SER . 5.1 t80 -65.65 -28.94 69.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.424 -0.798 . . . . 0.0 110.293 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 -54.92 3.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 0.0 110.589 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.67 -53.35 59.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.266 -0.896 . . . . 0.0 110.462 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.413 ' HA2' ' CZ ' ' A' ' 62' ' ' PHE . . . 88.78 25.16 30.57 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.917 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.3 pp -134.45 155.1 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.367 -1.078 . . . . 0.0 110.247 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 10' ' ' ALA . 8.3 mt . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.462 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 43.8 m95 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.206 0.527 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -102.35 160.68 14.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.124 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.98 -173.95 0.42 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.334 -0.854 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -153.91 90.73 3.28 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.462 -0.774 . . . . 0.0 109.809 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.5 Cg_endo -75.51 0.9 8.58 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.835 1.439 . . . . 0.0 111.666 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -74.78 -3.85 34.15 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.005 -1.06 . . . . 0.0 111.26 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.581 ' CD2' HD11 ' A' ' 49' ' ' LEU . 4.3 mt -137.16 -61.53 0.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 110.553 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.21 -177.1 47.84 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.84 96.45 0.85 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.919 1.484 . . . . 0.0 110.48 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.83 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 161.76 -30.51 0.31 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.695 ' CH2' HD13 ' A' ' 49' ' ' LEU . 63.3 m95 -75.63 151.13 37.83 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.457 -1.025 . . . . 0.0 111.87 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 2.0 mmmm -137.03 129.92 30.61 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 20.1 ttp85 -109.14 138.35 45.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.222 -0.924 . . . . 0.0 110.926 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.1 tpt180 -140.32 137.55 34.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.675 -0.641 . . . . 0.0 109.435 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.59 133.0 44.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.229 -0.919 . . . . 0.0 110.25 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 31' ' ' SER . 15.6 t -111.35 104.71 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.562 -0.711 . . . . 0.0 109.974 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.9 t80 -84.68 45.86 1.19 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.11 -0.994 . . . . 0.0 110.516 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.632 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 49.9 173.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.431 -0.793 . . . . 0.0 110.905 179.772 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER -142.18 -34.31 0.46 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.037 -1.04 . . . . 0.0 110.827 179.752 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.514 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 14.5 t 172.73 -169.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.234 -0.916 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.464 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 102.39 -74.11 0.32 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.05 -39.18 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.447 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . 22.1 p -80.24 0.27 33.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.582 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.632 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 13.3 t -44.32 132.67 5.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.556 -0.715 . . . . 0.0 111.563 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.75 -14.82 26.82 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.924 -1.131 . . . . 0.0 110.841 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 2.8 mtt-85 -83.08 175.39 10.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.956 -1.32 . . . . 0.0 110.43 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 94.6 p -137.37 95.65 3.12 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.625 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.9 m-20 -100.99 124.8 47.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.462 -0.774 . . . . 0.0 109.94 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.59 HG22 ' CE2' ' A' ' 35' ' ' TYR . 81.2 m -98.37 128.81 44.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.325 -0.859 . . . . 0.0 110.237 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 44.0 m-85 -111.11 158.35 18.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.507 -0.746 . . . . 0.0 109.822 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CE2' HG22 ' A' ' 33' ' ' THR . 1.2 m-85 -140.18 140.05 35.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 110.729 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 5.3 tp60 -99.35 143.13 29.95 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.495 ' OG ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -52.1 -176.43 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.483 -0.761 . . . . 0.0 111.199 -179.12 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.83 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.5 Cg_endo -81.68 -18.79 7.81 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.578 1.304 . . . . 0.0 110.494 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -156.04 9.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 118.581 -1.248 . . . . 0.0 112.646 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.3 83.94 0.04 OUTLIER Glycine 0 N--CA 1.495 2.611 0 C-N-CA 118.697 -1.716 . . . . 0.0 112.021 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' OD2' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 174.14 116.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.482 -1.011 . . . . 0.0 109.47 177.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -79.75 118.78 21.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.327 -0.858 . . . . 0.0 110.918 -179.282 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 42' ' ' ARG . 1.3 mp -119.49 149.19 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.496 -0.753 . . . . 0.0 109.314 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.38 0.28 5.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 110.611 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -158.76 -170.5 3.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.027 -1.046 . . . . 0.0 110.74 -179.508 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' N ' ' OG ' ' A' ' 45' ' ' SER . 4.5 ttpt -77.51 -39.05 47.56 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.522 -0.736 . . . . 0.0 109.04 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.76 -48.62 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -0.774 . . . . 0.0 109.216 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.524 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -54.34 -39.98 67.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.409 -0.807 . . . . 0.0 109.132 179.168 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.695 HD13 ' CH2' ' A' ' 15' ' ' TRP . 15.5 tp -68.35 -44.95 74.15 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.3 m -59.88 -23.21 63.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.663 -0.648 . . . . 0.0 109.764 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -71.65 -58.59 3.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.354 -0.841 . . . . 0.0 110.527 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.495 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 2.8 t80 -57.01 -21.59 31.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 0.0 110.396 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.642 HD11 HD11 ' A' ' 49' ' ' LEU . 39.3 mt -92.07 -13.12 31.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.279 -0.888 . . . . 0.0 110.782 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.31 152.87 8.73 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.0 -20.3 38.59 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 O-C-N 123.707 1.372 . . . . 0.0 110.453 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.47 8.93 37.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.1 m -104.05 61.84 0.74 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.324 -0.86 . . . . 0.0 110.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 168.04 4.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.209 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 53' ' ' LEU . 95.1 mt -141.79 63.49 1.42 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.469 -0.769 . . . . 0.0 110.036 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -18.18 63.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 0.0 110.403 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.87 -27.04 21.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.225 -0.922 . . . . 0.0 110.361 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.422 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 20.0 t80 -67.34 122.01 16.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -85.68 137.83 32.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.368 -0.832 . . . . 0.0 109.84 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -76.76 -67.02 0.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.303 -0.873 . . . . 0.0 110.433 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -58.51 -21.96 53.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.322 -0.861 . . . . 0.0 110.75 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.535 ' OE1' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -100.61 -51.59 3.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.124 -0.985 . . . . 0.0 110.432 -179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 79.78 62.9 2.07 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.802 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -160.32 144.71 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.329 -1.101 . . . . 0.0 110.242 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 69' ' ' LEU . 10.8 mt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.44 -0.788 . . . . 0.0 109.784 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CZ2' ' HD3' ' A' ' 18' ' ' ARG . 61.3 m95 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.13 0.49 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -116.63 160.27 20.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.357 -0.839 . . . . 0.0 110.107 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.23 167.2 0.69 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 110.166 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -147.97 85.85 6.34 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 110.417 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.1 Cg_endo -73.13 -6.99 19.91 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.84 1.442 . . . . 0.0 111.124 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.804 ' HB1' ' HD1' ' A' ' 62' ' ' PHE . . . -61.87 -12.66 18.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.295 -0.878 . . . . 0.0 110.97 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -128.42 -68.38 0.76 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 110.457 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.1 -169.72 39.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.8 95.34 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.856 1.451 . . . . 0.0 110.94 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.786 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.19 -29.82 0.72 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.906 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 77.8 m95 -73.4 154.26 40.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.629 -0.924 . . . . 0.0 111.773 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -137.25 160.01 40.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 56.3 ttp180 -129.2 141.39 51.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.149 -0.969 . . . . 0.0 110.934 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HD3' ' CZ2' ' A' ' 5' ' ' TRP . 2.4 ttp-105 -138.34 134.44 34.23 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.48 135.99 40.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 0.0 110.522 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 34' ' ' TYR . 25.4 t -122.08 95.72 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.512 -0.743 . . . . 0.0 109.788 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' A' ' 22' ' ' ARG . 4.3 t80 -83.92 44.62 1.01 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.13 -0.981 . . . . 0.0 110.78 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.629 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER 50.92 162.82 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.471 -0.768 . . . . 0.0 111.386 179.544 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -129.85 -31.54 1.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.142 -0.974 . . . . 0.0 110.642 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.509 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 164.99 -167.92 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.358 -0.839 . . . . 0.0 110.906 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.79 -68.34 0.33 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -174.32 -40.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.636 -0.92 . . . . 0.0 108.631 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.44 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 25.2 p -78.42 1.09 23.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.211 0.529 . . . . 0.0 109.769 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -41.83 135.13 2.4 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.641 -0.662 . . . . 0.0 112.023 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.12 -16.35 35.81 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.907 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 61.4 mtt180 -82.21 153.93 25.69 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.954 -1.321 . . . . 0.0 110.184 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 80.2 p -121.57 101.18 7.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.429 -0.795 . . . . 0.0 110.516 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.2 m-20 -101.06 125.08 47.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.443 -0.785 . . . . 0.0 109.938 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.662 HG22 ' CE2' ' A' ' 35' ' ' TYR . 88.7 m -99.41 120.79 40.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.253 -0.904 . . . . 0.0 109.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD2' ' HB3' ' A' ' 44' ' ' ARG . 65.9 m-85 -104.87 142.88 33.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.996 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.662 ' CE2' HG22 ' A' ' 33' ' ' THR . 1.5 m-85 -126.72 146.9 50.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.312 -0.867 . . . . 0.0 110.291 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -102.5 146.61 27.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 0.0 108.965 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 3.4 p -56.54 -173.15 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.462 -0.774 . . . . 0.0 110.048 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.786 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.0 Cg_endo -82.19 -10.37 11.3 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.272 1.143 . . . . 0.0 111.268 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 t -168.06 20.18 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 0.0 112.959 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.78 86.61 0.08 OUTLIER Glycine 0 N--CA 1.497 2.719 0 C-N-CA 118.821 -1.657 . . . . 0.0 112.153 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.0 OUTLIER 163.54 113.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.779 -0.836 . . . . 0.0 109.044 178.197 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 145.81 30.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.371 -0.831 . . . . 0.0 110.951 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.966 HG21 HD12 ' A' ' 49' ' ' LEU . 3.0 mt -140.56 153.47 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.597 -0.69 . . . . 0.0 109.508 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.53 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -131.34 0.47 4.09 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.156 -0.965 . . . . 0.0 111.512 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -158.98 -167.41 2.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.765 -1.209 . . . . 0.0 110.985 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -51.37 13.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.481 -0.762 . . . . 0.0 110.096 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.441 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 3.3 t -52.09 -48.23 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.305 -0.872 . . . . 0.0 109.242 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.874 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -51.09 -43.68 61.11 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.654 0.74 . . . . 0.0 109.222 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.966 HD12 HG21 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -64.73 -40.21 94.95 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -67.06 -16.22 64.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.677 -0.639 . . . . 0.0 110.308 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.5 mtp180 -80.02 -62.54 1.65 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.22 -0.925 . . . . 0.0 110.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 2.9 t80 -58.03 -21.81 46.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.39 -0.819 . . . . 0.0 110.223 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 59' ' ' LEU . 67.8 mt -92.56 -17.92 23.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.275 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.3 153.33 13.81 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 -29.15 17.17 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.807 1.425 . . . . 0.0 110.205 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.48 -18.3 52.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.112 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.4 m -91.39 86.81 6.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.86 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.59 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.24 174.02 10.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.228 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.744 HD13 HD23 ' A' ' 49' ' ' LEU . 88.9 mt -139.89 52.68 1.69 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.4 -0.812 . . . . 0.0 109.779 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -23.35 27.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.812 . . . . 0.0 110.585 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CB ' HD23 ' A' ' 69' ' ' LEU . 6.9 mt -85.64 -37.35 19.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.272 -0.892 . . . . 0.0 110.355 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.804 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 71.2 t80 -55.33 127.31 28.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.27 -0.894 . . . . 0.0 109.757 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -102.87 9.58 38.81 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.253 -0.905 . . . . 0.0 111.757 -179.046 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 24.1 t80 54.51 -85.86 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.155 -0.966 . . . . 0.0 110.853 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -48.59 -31.11 6.12 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.208 -0.933 . . . . 0.0 110.979 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.543 ' OE1' HD11 ' A' ' 68' ' ' ILE . 45.9 mt-30 -84.87 -28.93 25.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 0.0 109.991 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.578 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 63.45 39.48 97.75 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.74 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -155.16 160.6 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.591 -0.946 . . . . 0.0 110.149 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 61' ' ' LEU . 5.6 mt . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.526 -0.734 . . . . 0.0 110.136 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.167 0.508 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.09 160.49 27.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.815 . . . . 0.0 110.239 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.78 176.74 0.49 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.307 -0.871 . . . . 0.0 110.232 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.8 t -155.97 93.36 2.54 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.9 Cg_endo -77.92 6.72 4.38 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.84 1.442 . . . . 0.0 111.675 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -67.66 -9.52 44.06 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.012 -1.055 . . . . 0.0 111.107 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.071 HD11 HD21 ' A' ' 49' ' ' LEU . 1.2 mt -135.79 -61.89 0.7 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.951 -1.093 . . . . 0.0 110.469 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.08 -165.2 31.52 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.32 128.42 12.84 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.857 1.451 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.732 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 117.28 -39.47 2.64 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.779 ' CD2' HD13 ' A' ' 11' ' ' LEU . 61.8 m95 -57.41 140.22 50.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.47 -1.018 . . . . 0.0 111.227 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -134.57 152.38 51.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 179.416 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -140.14 140.11 35.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.157 -0.964 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 33' ' ' THR . 10.4 tpt180 -140.49 146.34 38.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.581 -0.699 . . . . 0.0 109.469 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.68 127.74 45.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.274 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' SER . 12.2 t -105.47 104.55 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 109.822 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.47 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -83.26 45.75 1.06 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 110.558 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 50.63 171.03 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.332 -0.855 . . . . 0.0 111.143 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.4 OUTLIER -135.01 -36.36 0.82 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 110.562 179.639 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.483 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 13.0 t 172.76 -171.42 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.295 -0.878 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.469 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 103.25 -94.57 1.13 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.16 -44.62 0.2 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.437 ' HB ' ' NH2' ' A' ' 22' ' ' ARG . 41.2 p -72.32 -5.14 34.11 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.837 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.7 p -41.88 137.65 1.71 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.582 -0.699 . . . . 0.0 111.696 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.26 -15.59 39.13 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.684 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 69.1 mtt180 -83.48 165.99 18.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.021 -1.282 . . . . 0.0 110.367 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 7.4 p -129.79 96.23 4.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -99.77 126.09 45.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.813 . . . . 0.0 110.024 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.573 HG22 ' CE2' ' A' ' 35' ' ' TYR . 95.2 m -98.31 124.55 43.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 0.0 109.858 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 49.6 m-85 -108.72 152.75 24.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.541 -0.724 . . . . 0.0 109.886 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.573 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -139.95 144.04 36.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.955 . . . . 0.0 110.4 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 37' ' ' SER . 1.8 tt0 -108.1 150.05 27.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.775 . . . . 0.0 109.515 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 41' ' ' ASP . 20.0 p -54.47 -177.8 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.513 -0.742 . . . . 0.0 110.225 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.732 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 52.0 Cg_endo -84.58 -2.79 9.91 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.453 1.238 . . . . 0.0 112.194 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -166.76 19.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.092 -1.443 . . . . 0.0 113.274 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 139.53 82.16 0.08 OUTLIER Glycine 0 N--CA 1.497 2.715 0 C-N-CA 118.792 -1.671 . . . . 0.0 112.124 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.507 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 170.11 108.62 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.596 -0.943 . . . . 0.0 109.061 178.086 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 128.9 33.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 110.858 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.052 HG21 HD12 ' A' ' 49' ' ' LEU . 17.4 mt -128.97 150.47 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.607 -0.683 . . . . 0.0 109.381 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -126.94 -6.9 6.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.235 -0.916 . . . . 0.0 111.177 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -151.22 -164.37 1.99 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.962 -1.086 . . . . 0.0 110.237 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -80.08 -46.72 16.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.145 -0.972 . . . . 0.0 110.142 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 t -54.28 -48.53 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 108.703 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.89 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.4 mm-40 -53.28 -36.36 61.08 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.071 HD21 HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.31 -51.13 48.16 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.133 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.0 m -56.64 -21.21 25.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.907 -0.496 . . . . 0.0 110.198 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.2 mmm180 -74.1 -58.55 3.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.219 -0.925 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 3.7 t80 -68.09 -10.81 56.83 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.227 -0.92 . . . . 0.0 110.532 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 59' ' ' LEU . 41.5 mt -103.15 -21.12 13.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.155 -0.966 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.8 151.05 8.39 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -21.34 35.33 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 O-C-N 123.711 1.374 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.32 -9.27 33.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 0.0 110.26 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.3 t -84.42 64.36 8.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.205 -0.935 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.689 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -59.16 154.63 15.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.263 -0.898 . . . . 0.0 110.213 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 58' ' ' ASP . 74.2 mt -140.15 57.27 1.6 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.359 -0.838 . . . . 0.0 110.067 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -15.79 62.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 0.0 110.23 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' HB2' HD23 ' A' ' 69' ' ' LEU . 2.6 mt -88.43 -26.68 22.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.305 -0.872 . . . . 0.0 110.161 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.545 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 31.1 t80 -64.94 115.43 5.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.251 -0.905 . . . . 0.0 109.714 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -79.91 120.92 24.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.207 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' A' ' 35' ' ' TYR . 16.4 t80 -62.97 -23.02 67.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -90.67 -31.02 16.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.167 -0.958 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.466 ' HB3' HD11 ' A' ' 68' ' ' ILE . 49.8 mt-30 -109.21 -47.55 3.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.094 -1.004 . . . . 0.0 110.13 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.822 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 70.73 71.92 0.96 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.528 ' N ' ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -151.67 12.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.317 -1.108 . . . . 0.0 111.486 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.8 mt . . . . . 0 N--CA 1.499 1.98 0 O-C-N 121.025 -1.047 . . . . 0.0 110.171 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.27 0.557 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.68 80.06 0.1 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.322 -0.861 . . . . 0.0 110.431 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.5 -61.88 1.61 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.34 -0.85 . . . . 0.0 110.196 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.39 92.1 0.24 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.399 -0.813 . . . . 0.0 110.171 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.439 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 19.0 m95 -94.38 113.03 24.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 110.275 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -111.42 154.2 25.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 110.014 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -58.07 170.54 0.64 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.273 -0.892 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.4 t -150.15 87.75 4.91 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.65 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -71.14 -5.26 16.6 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 O-C-N 123.983 1.517 . . . . 0.0 111.579 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.857 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -58.82 -14.78 9.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.121 -0.987 . . . . 0.0 110.898 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.908 HD21 HD21 ' A' ' 49' ' ' LEU . 3.3 mp -127.32 -68.95 0.77 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.021 -1.05 . . . . 0.0 110.398 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.96 -166.22 32.46 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.78 138.69 26.63 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.803 1.423 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.748 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 109.25 -35.09 5.13 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.809 ' CE2' HD22 ' A' ' 11' ' ' LEU . 36.9 m95 -62.4 145.92 52.72 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.349 -1.089 . . . . 0.0 111.418 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -139.53 132.53 29.46 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.667 -0.645 . . . . 0.0 109.598 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -115.21 152.94 31.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.263 -0.898 . . . . 0.0 110.522 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 33' ' ' THR . 11.7 ttp180 -140.03 160.15 40.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.854 . . . . 0.0 110.229 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.96 143.14 45.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 109.922 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 34' ' ' TYR . 25.3 t -132.34 101.55 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.208 -0.932 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' ARG . 3.2 t80 -84.7 50.04 1.83 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.259 -0.901 . . . . 0.0 110.217 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.579 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 48.59 -179.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.707 0.765 . . . . 0.0 111.07 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' N ' ' OP1' ' B' ' 106' ' ' 5CM . 2.4 tmmt? -139.17 -38.4 0.49 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.528 -0.732 . . . . 0.0 109.923 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.471 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 0.6 OUTLIER 167.7 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.441 -0.787 . . . . 0.0 110.764 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.57 -91.1 1.01 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.81 -41.92 0.17 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.948 0.88 . . . . 0.0 109.057 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.509 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 42.4 p -77.8 -0.16 26.06 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.865 -0.522 . . . . 0.0 110.036 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 38.0 t -45.06 138.78 3.55 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 111.731 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.72 -14.08 49.94 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.497 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.473 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 97.8 mtt180 -87.41 150.0 24.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.047 -1.267 . . . . 0.0 110.207 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 53.6 p -110.97 118.06 35.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 110.485 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -116.16 127.92 55.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.436 -0.79 . . . . 0.0 110.055 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 18' ' ' ARG . 11.3 m -99.77 124.3 44.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 110.409 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CD1' HG21 ' A' ' 20' ' ' VAL . 86.3 m-85 -113.49 142.64 45.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.443 -0.786 . . . . 0.0 109.402 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -139.74 139.85 36.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.056 -1.028 . . . . 0.0 110.63 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 45.3 tt0 -99.62 152.43 20.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.492 -0.755 . . . . 0.0 109.425 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.487 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -54.15 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.586 -0.696 . . . . 0.0 110.493 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.748 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.3 Cg_endo -86.05 -9.22 7.51 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.481 1.253 . . . . 0.0 111.225 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -161.09 14.9 0.1 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.808 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.49 80.98 0.04 OUTLIER Glycine 0 N--CA 1.495 2.591 0 C-N-CA 118.723 -1.703 . . . . 0.0 112.227 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.74 128.79 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.486 -1.008 . . . . 0.0 109.628 177.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.556 ' C ' HD12 ' A' ' 43' ' ' ILE . 6.9 tpt180 -97.85 105.37 17.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.219 -0.925 . . . . 0.0 110.568 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.918 HG21 HD12 ' A' ' 49' ' ' LEU . 1.3 mp -106.21 135.55 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.331 -0.856 . . . . 0.0 109.322 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 0.1 OUTLIER -111.46 -3.34 15.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.867 -179.551 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 1.103 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -154.97 -165.19 1.97 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -179.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' N ' ' OG ' ' A' ' 45' ' ' SER . 8.4 ttpt -78.95 -42.8 26.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.514 -0.741 . . . . 0.0 109.086 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG23 H5'' ' C' ' 117' ' ' ' DC' . 25.1 t -56.58 -54.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 0.0 108.729 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.69 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.57 -39.02 48.37 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.616 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -67.98 -42.71 80.4 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.8 m -65.79 -15.77 63.18 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.745 -0.597 . . . . 0.0 109.882 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.534 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 15.1 mmt180 -77.77 -62.37 1.69 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.867 . . . . 0.0 110.185 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.455 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -58.44 -21.93 52.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.352 -0.842 . . . . 0.0 110.251 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 59' ' ' LEU . 43.1 mt -94.56 -15.84 23.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.49 153.35 18.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.32 -29.7 20.8 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 123.7 1.369 . . . . 0.0 110.199 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.23 -21.61 58.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.416 -0.803 . . . . 0.0 109.98 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.57 66.33 7.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -59.49 166.25 2.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.368 -0.832 . . . . 0.0 110.117 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.937 HD13 HD23 ' A' ' 49' ' ' LEU . 88.6 mt -139.48 64.6 1.46 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.37 -0.831 . . . . 0.0 110.046 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 -20.99 60.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.321 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.678 HD22 ' HB3' ' A' ' 71' ' ' TYR . 16.0 mt -95.1 13.5 25.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.253 -0.904 . . . . 0.0 110.671 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.632 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 43.2 t80 -98.45 130.1 45.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 110.054 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -88.19 120.33 29.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.47 -0.769 . . . . 0.0 110.28 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.75 -26.27 61.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.389 -0.82 . . . . 0.0 110.004 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -90.13 -12.07 39.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.0 110.926 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -123.07 -40.51 2.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.119 -0.988 . . . . 0.0 110.632 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 82.5 56.59 2.78 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.857 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 2.8 pt -154.62 150.55 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.424 -1.045 . . . . 0.0 110.496 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 61' ' ' LEU . 10.4 mt -93.3 83.43 4.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.504 -0.748 . . . . 0.0 109.589 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.13 -45.43 5.45 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.594 -0.691 . . . . 0.0 111.221 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.678 ' HB3' HD22 ' A' ' 61' ' ' LEU . 2.3 t80 -125.15 131.16 24.02 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 0.0 110.208 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -73.33 -83.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.33 0 O-C-N 123.551 1.29 . . . . 0.0 110.633 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.0 154.42 72.55 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.058 -1.026 . . . . 0.0 110.231 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -73.22 -78.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 123.699 1.368 . . . . 0.0 110.771 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.8 tttt . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.225 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.481 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.726 0 O4'-C1'-N19 110.932 3.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.834 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.913 0 O4'-C1'-N19 110.475 3.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.834 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.756 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.801 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.801 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.736 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.859 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.834 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.823 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.873 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.723 1 O4'-C1'-N19 111.125 4.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.892 0 O4'-C1'-N19 110.646 3.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.868 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.046 0 O4'-C1'-N19 110.724 3.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.868 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.794 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.711 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.458 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.707 0 O4'-C1'-N19 110.847 3.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.836 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.938 0 O4'-C1'-N19 110.524 3.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.836 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.799 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.601 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.735 0 O4'-C1'-N19 110.884 3.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 1.103 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 P--O5' 1.611 1.756 1 O4'-C1'-N19 111.073 4.091 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.865 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.865 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.443 1.753 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.901 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.73 0 O4'-C1'-N19 110.886 3.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.901 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.805 0 O4'-C1'-N19 110.769 3.711 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.912 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.091 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.912 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.857 1 O4'-C1'-N19 111.031 4.038 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.465 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptm . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.229 0.538 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.25 114.11 4.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.4 -0.813 . . . . 0.0 110.206 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -53.7 -27.09 25.98 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.394 -0.816 . . . . 0.0 110.534 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 t70 62.38 120.64 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.319 -0.863 . . . . 0.0 110.306 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -79.56 131.5 36.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 0.0 110.098 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -107.69 160.53 15.64 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.471 -0.768 . . . . 0.0 110.16 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.92 158.66 32.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 46.1 t -136.84 82.97 30.3 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.85 -5.36 16.72 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 O-C-N 124.115 1.587 . . . . 0.0 112.513 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.962 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -55.38 -53.66 53.46 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.778 -1.201 . . . . 0.0 110.184 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.044 HD11 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -81.9 -67.96 0.74 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.359 -0.838 . . . . 0.0 110.772 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.52 -159.81 23.16 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.253 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' O ' ' HB3' ' A' ' 38' ' ' PRO . 47.9 Cg_endo -73.66 136.99 24.27 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.973 1.512 . . . . 0.0 111.112 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.746 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 105.29 -34.58 5.68 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.96 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 41.8 m95 -60.16 143.12 53.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.542 -0.975 . . . . 0.0 111.05 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -140.03 148.2 41.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.464 -0.773 . . . . 0.0 109.66 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.93 147.5 52.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.902 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -135.08 147.23 49.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.478 -0.764 . . . . 0.0 109.624 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.9 146.14 27.73 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.918 . . . . 0.0 110.37 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG21 ' CD1' ' A' ' 34' ' ' TYR . 22.0 t -132.31 96.15 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.394 -0.817 . . . . 0.0 110.017 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 -83.05 45.32 1.0 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.367 -0.833 . . . . 0.0 110.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.75 168.31 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 111.083 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 24' ' ' SER . 3.1 tppt? -134.79 -30.81 1.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.0 110.338 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER 164.28 -165.86 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.413 -0.804 . . . . 0.0 110.788 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.46 -66.51 0.46 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -176.38 -40.23 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.631 -0.923 . . . . 0.0 108.554 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.59 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 18.1 p -78.45 -1.48 33.83 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.772 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.5 t -39.64 131.32 1.78 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.659 -0.65 . . . . 0.0 111.793 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.68 -15.97 23.97 Favored Glycine 0 N--CA 1.494 2.541 0 C-N-CA 120.123 -1.037 . . . . 0.0 110.681 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 31.6 mtt180 -83.76 151.74 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.998 -1.295 . . . . 0.0 110.566 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 49.2 p -119.38 106.31 12.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.427 -0.795 . . . . 0.0 110.34 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 45.7 m-20 -109.31 127.65 54.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.473 -0.767 . . . . 0.0 110.193 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.436 ' O ' ' CZ ' ' A' ' 35' ' ' TYR . 6.6 m -99.23 121.93 41.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.434 -0.791 . . . . 0.0 110.034 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.543 ' CD1' HG21 ' A' ' 20' ' ' VAL . 45.6 m-85 -106.42 144.97 32.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -135.56 160.07 39.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.153 -0.967 . . . . 0.0 110.473 -179.585 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -125.87 148.94 49.03 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.521 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -53.47 -175.58 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.63 -0.669 . . . . 0.0 109.309 179.399 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.746 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 43.2 Cg_endo -75.6 -13.22 20.27 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 N-CA-C 109.538 -0.985 . . . . 0.0 109.538 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 38' ' ' PRO . 13.2 t -179.2 44.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.01 -115.6 2.42 Favored Glycine 0 N--CA 1.489 2.194 0 C-N-CA 120.279 -0.963 . . . . 0.0 111.047 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -116.69 -153.32 0.52 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.592 -0.946 . . . . 0.0 110.464 -178.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.03 116.17 31.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 110.906 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.878 HG21 HD12 ' A' ' 49' ' ' LEU . 23.2 mt -99.54 155.16 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' CB ' H5A3 ' C' ' 118' ' ' 5CM . 0.8 OUTLIER -124.21 -10.46 7.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.106 -0.996 . . . . 0.0 111.562 -178.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.496 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 1.5 m -152.63 -166.08 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.781 -1.2 . . . . 0.0 111.021 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 14.7 ttpt -77.21 -47.53 19.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.586 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 6.2 t -54.29 -52.7 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 108.779 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.859 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.0 mt-10 -53.18 -32.94 50.46 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.044 HD21 HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -72.18 -48.68 41.42 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.171 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.1 m -59.03 -21.12 58.58 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.763 -0.586 . . . . 0.0 109.697 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -73.48 -59.53 2.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.41 -0.806 . . . . 0.0 110.023 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 6.8 t80 -59.73 -24.57 64.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.339 -0.851 . . . . 0.0 110.17 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.643 ' CD1' HD11 ' A' ' 59' ' ' LEU . 68.5 mt -86.36 -21.45 27.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.04 156.69 14.37 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.76 -16.47 33.34 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 O-C-N 123.826 1.435 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.01 14.76 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.47 63.72 0.96 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -51.32 174.3 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.462 -0.774 . . . . 0.0 110.747 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.676 ' CD1' HD23 ' A' ' 49' ' ' LEU . 32.7 mt -151.78 62.77 0.86 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.562 -0.711 . . . . 0.0 109.674 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -76.97 -0.08 23.05 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.357 -0.839 . . . . 0.0 111.203 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.88 -26.16 11.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.013 -1.054 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.463 ' CE2' ' HA ' ' A' ' 64' ' ' PHE . 39.1 t80 -59.77 123.06 15.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.174 -0.954 . . . . 0.0 109.488 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' LYS . 7.3 m-20 -85.15 7.99 19.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.359 -0.838 . . . . 0.0 111.7 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.463 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 64.3 t80 57.43 -76.91 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.289 -0.882 . . . . 0.0 110.743 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -57.23 -53.8 54.0 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.125 -0.984 . . . . 0.0 110.834 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.501 ' HB3' HD11 ' A' ' 68' ' ' ILE . 17.7 mm100 -63.55 -32.9 74.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 110.522 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 69.67 45.48 58.62 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.828 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -153.14 157.43 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.386 -1.067 . . . . 0.0 110.445 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.962 HD12 ' O ' ' A' ' 10' ' ' ALA . 9.1 mt -105.23 86.89 2.5 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.481 -0.762 . . . . 0.0 109.59 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.83 82.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.475 -0.766 . . . . 0.0 110.625 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 69' ' ' LEU . 72.8 t80 -129.93 75.26 79.76 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.446 -0.784 . . . . 0.0 109.826 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -71.35 -80.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.776 1.408 . . . . 0.0 110.799 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.21 154.63 50.13 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.089 -1.007 . . . . 0.0 110.294 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.1 -33.09 7.84 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 O-C-N 123.807 1.425 . . . . 0.0 110.368 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mttp . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.114 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.506 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.821 0 O4'-C1'-N19 110.759 3.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.872 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.872 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.779 0 O4'-C1'-N19 110.961 3.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.813 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.887 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.813 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.642 1 O4'-C1'-N19 111.032 4.04 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.856 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.795 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.819 1 O4'-C1'-N19 111.221 4.277 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.892 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C1'-N19 111.14 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.892 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.863 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.855 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C1'-N19 110.826 3.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.855 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.866 1 O4'-C1'-N19 111.062 4.078 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.462 ' C6 ' H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.723 0 O4'-C1'-N19 110.947 3.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.505 " H2'" ' H72' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.778 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.869 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.742 0 O4'-C1'-N19 110.965 3.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.576 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.951 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.716 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.769 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.832 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.832 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 2.012 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.869 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.787 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.907 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.443 1.791 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.907 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.823 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.439 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.524 1.678 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.247 0.546 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.577 ' HB1' ' OP1' ' B' ' 104' ' ' ' DT' . . . -146.44 55.5 1.15 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.257 -0.902 . . . . 0.0 110.365 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.08 20.74 4.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.446 -0.784 . . . . 0.0 110.763 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.43 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 4.5 t0 62.03 92.82 0.05 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.222 -0.924 . . . . 0.0 110.949 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.461 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 27.1 m95 -79.45 168.29 19.67 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.324 -0.86 . . . . 0.0 109.969 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -137.55 160.1 40.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.354 -0.841 . . . . 0.0 110.215 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 165.01 7.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.291 -0.881 . . . . 0.0 109.925 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 47.5 t -148.2 84.8 6.61 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 110.436 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.518 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.4 Cg_endo -73.99 -7.03 19.43 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 O-C-N 123.791 1.417 . . . . 0.0 111.08 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.777 ' HB1' ' HD1' ' A' ' 62' ' ' PHE . . . -55.86 -19.63 12.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.231 -0.918 . . . . 0.0 111.21 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.922 HD23 HD11 ' A' ' 53' ' ' LEU . 2.9 mp -126.53 -66.84 0.89 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.944 -1.097 . . . . 0.0 110.684 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.99 -165.44 29.96 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.57 133.75 19.35 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.849 1.447 . . . . 0.0 110.703 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.738 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 111.88 -32.66 6.22 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.712 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 85.7 m95 -62.89 147.02 51.48 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.406 -1.055 . . . . 0.0 111.435 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 5.4 mmtt -137.87 154.08 49.5 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.683 -0.636 . . . . 0.0 109.407 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.15 137.85 49.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.992 . . . . 0.0 110.752 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 4.7 tpm_? -140.12 133.53 29.98 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.61 -0.681 . . . . 0.0 109.478 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -99.59 137.08 38.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 0.0 110.248 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 31' ' ' SER . 9.8 t -116.04 104.98 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.523 -0.736 . . . . 0.0 109.93 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -86.09 37.9 0.74 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.091 -1.005 . . . . 0.0 110.512 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HG3' ' HB2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER 51.54 162.34 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.732 0.777 . . . . 0.0 111.399 179.537 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -128.27 -34.63 2.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.122 -0.986 . . . . 0.0 110.378 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 p 166.39 -170.29 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 O-C-N 121.368 -0.832 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 26' ' ' ALA . . . 106.15 -58.03 0.45 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . 177.94 -38.76 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.581 -0.952 . . . . 0.0 108.456 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.512 ' OG1' ' HD2' ' A' ' 22' ' ' ARG . 33.4 p -85.42 9.02 16.83 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.578 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.1 t -49.2 132.84 19.58 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.423 -0.798 . . . . 0.0 111.452 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.75 -7.16 55.26 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.665 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.637 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.8 mpt_? -91.45 128.66 37.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.283 . . . . 0.0 109.539 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 9.0 p -99.64 124.07 44.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 111.006 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.2 m-20 -124.01 129.72 51.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.539 -0.725 . . . . 0.0 109.66 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.642 HG22 ' CE2' ' A' ' 35' ' ' TYR . 31.2 m -98.48 118.61 35.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.243 -0.91 . . . . 0.0 110.238 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 55.2 m-85 -101.85 153.23 20.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.624 -0.673 . . . . 0.0 110.02 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -139.7 144.02 37.34 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.242 -0.911 . . . . 0.0 110.25 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -109.33 142.19 40.58 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.522 ' HB2' ' CD2' ' A' ' 52' ' ' TYR . 9.5 p -54.99 -175.47 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.418 -0.801 . . . . 0.0 110.092 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.738 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 45.9 Cg_endo -83.63 -7.79 10.52 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 O-C-N 123.386 1.203 . . . . 0.0 111.705 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -168.2 47.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 118.05 -1.46 . . . . 0.0 112.796 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 113.64 89.52 1.75 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 119.537 -1.316 . . . . 0.0 111.944 177.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.481 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.4 OUTLIER 165.09 108.73 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.83 -0.806 . . . . 0.0 109.123 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' NH2' ' H71' ' B' ' 104' ' ' ' DT' . 0.0 OUTLIER -79.68 116.0 19.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.298 -0.876 . . . . 0.0 110.888 -179.151 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.815 HG23 ' HB3' ' A' ' 48' ' ' GLU . 28.0 mt -112.94 148.98 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.489 -0.757 . . . . 0.0 109.128 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' CB ' H5A3 ' C' ' 118' ' ' 5CM . 60.5 mtt180 -135.85 4.22 3.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.216 -0.927 . . . . 0.0 111.583 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.543 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -163.34 -162.7 0.76 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.829 -1.17 . . . . 0.0 111.054 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -74.65 -47.96 28.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.455 -0.778 . . . . 0.0 109.669 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.563 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 15.3 t -54.56 -54.25 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 0.0 109.471 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.815 ' HB3' HG23 ' A' ' 43' ' ' ILE . 6.9 mm-40 -51.68 -42.47 62.19 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.384 -0.823 . . . . 0.0 109.233 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.859 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.6 tp -66.23 -46.32 77.61 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -61.12 -16.72 47.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.821 -0.549 . . . . 0.0 110.215 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.508 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mmt180 -78.53 -62.12 1.79 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.919 . . . . 0.0 110.486 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.4 t80 -53.14 -28.36 25.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.178 -0.951 . . . . 0.0 110.093 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.922 HD11 HD23 ' A' ' 11' ' ' LEU . 3.2 mt -92.05 -22.82 19.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.327 -0.858 . . . . 0.0 110.365 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.49 155.37 16.02 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.41 -27.21 19.52 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 O-C-N 123.897 1.472 . . . . 0.0 110.378 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.0 -21.01 55.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.152 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.91 74.38 4.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.189 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -59.65 160.19 7.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.328 -0.858 . . . . 0.0 110.183 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.887 HD11 HD13 ' A' ' 53' ' ' LEU . 65.3 mt -132.48 43.6 2.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -25.78 34.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.37 -0.831 . . . . 0.0 110.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.25 -24.47 37.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.414 -0.804 . . . . 0.0 110.212 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.777 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 67.8 t80 -68.21 118.36 11.23 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.349 -0.845 . . . . 0.0 110.027 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 1.9 m-20 -85.39 111.56 20.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 109.892 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -50.0 -43.36 50.54 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.354 -0.841 . . . . 0.0 110.889 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -55.1 6.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.102 -0.999 . . . . 0.0 111.052 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 14.6 mt-30 -64.76 -50.95 64.84 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.16 -0.963 . . . . 0.0 110.622 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.641 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 85.2 52.28 3.47 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 108.946 -1.662 . . . . 0.0 108.946 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.601 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -156.8 155.28 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.563 -0.963 . . . . 0.0 110.093 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 69' ' ' LEU . 7.0 mt -103.18 87.41 2.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.783 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.1 t -47.13 -61.97 1.64 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.457 -0.777 . . . . 0.0 110.576 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.0 t80 51.49 88.79 0.11 Allowed Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.311 -0.868 . . . . 0.0 110.597 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.93 131.86 17.53 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 O-C-N 123.72 1.379 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.87 57.21 27.95 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.368 -0.833 . . . . 0.0 110.192 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.9 141.32 33.19 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 O-C-N 123.83 1.437 . . . . 0.0 110.383 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.5 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.495 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.655 0 O4'-C1'-N19 110.931 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.83 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.926 0 O4'-C1'-N19 110.428 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.83 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.763 0 O4'-C1'-N19 110.862 3.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.855 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.502 3.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.855 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.979 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.888 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.759 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.742 1 O4'-C1'-N19 111.362 4.452 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.891 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.895 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.891 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 1.972 0 O4'-C1'-N19 110.702 3.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.876 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.876 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.821 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.45 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.703 0 O4'-C1'-N19 110.877 3.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.497 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.696 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.819 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O4'-C1'-N19 110.55 3.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.819 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.73 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.491 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.622 0 O4'-C1'-N19 110.719 3.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.781 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.938 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.838 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.838 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.876 1 O4'-C1'-N19 111.015 4.019 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.893 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.735 0 O4'-C1'-N19 110.845 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.893 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.782 0 O4'-C1'-N19 110.694 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.889 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.995 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.889 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.853 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.483 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.813 0 O4'-C1'-N19 110.988 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.226 0.536 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' GLU . . . -124.32 36.92 4.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.457 -0.777 . . . . 0.0 110.228 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 2' ' ' ALA . 4.4 mp0 63.39 -61.0 0.15 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.751 -0.593 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 2' ' ' ALA . 55.0 m-20 62.86 128.01 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.34 -0.85 . . . . 0.0 110.386 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.598 ' O ' HD23 ' A' ' 6' ' ' LEU . 82.9 m95 -79.57 172.48 13.74 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.456 -0.778 . . . . 0.0 110.26 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 5' ' ' TRP . 57.9 mt -135.25 160.6 37.87 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.365 -0.834 . . . . 0.0 110.105 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.77 152.97 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.292 -0.88 . . . . 0.0 110.427 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.476 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.4 t -142.73 84.69 10.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.373 -0.829 . . . . 0.0 109.607 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.1 Cg_endo -72.0 -8.16 22.4 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 124.012 1.533 . . . . 0.0 111.881 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.919 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -54.21 -60.62 3.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.023 -1.048 . . . . 0.0 110.652 -179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.795 HD21 ' HG ' ' A' ' 49' ' ' LEU . 1.7 mp -79.74 -59.93 2.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.43 -0.794 . . . . 0.0 110.691 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.16 -161.14 32.07 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.881 -1.287 . . . . 0.0 109.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.27 147.92 38.09 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.847 1.446 . . . . 0.0 110.875 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.779 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 98.67 -32.07 7.43 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.775 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 63.7 m95 -65.32 146.31 55.09 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.412 -1.052 . . . . 0.0 111.447 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -140.24 149.94 43.5 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.649 -0.657 . . . . 0.0 109.596 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -126.36 122.89 36.69 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.171 -0.956 . . . . 0.0 110.682 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.74 138.33 50.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.385 -0.822 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -101.15 147.8 25.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.28 -0.887 . . . . 0.0 110.269 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 34' ' ' TYR . 41.3 t -126.62 157.83 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.404 -0.81 . . . . 0.0 109.833 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -135.38 40.17 2.84 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.198 -0.938 . . . . 0.0 110.106 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.613 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.22 175.08 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.598 0.714 . . . . 0.0 111.315 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -140.48 -41.36 0.41 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.418 -0.801 . . . . 0.0 110.343 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.547 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 45.5 t 174.48 -166.96 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.266 0 O-C-N 121.378 -0.826 . . . . 0.0 110.962 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.6 -74.04 0.41 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -166.35 -43.88 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.634 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . 40.0 p -76.35 -1.96 29.39 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.215 0.531 . . . . 0.0 109.742 178.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 19.3 t -41.3 137.0 1.52 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 111.88 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.43 -9.74 60.97 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.346 -1.101 . . . . 0.0 110.346 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.542 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 10.8 mtp85 -91.54 134.88 34.28 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.123 -1.221 . . . . 0.0 109.925 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 94.7 p -99.8 130.81 46.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.861 . . . . 0.0 110.479 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.6 m-20 -123.47 134.84 53.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.776 . . . . 0.0 109.991 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.618 HG22 ' CE2' ' A' ' 35' ' ' TYR . 26.1 m -99.64 123.52 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 0.0 110.254 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CD1' HG21 ' A' ' 20' ' ' VAL . 69.0 m-85 -110.49 157.75 19.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.447 -0.783 . . . . 0.0 109.565 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.618 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.8 OUTLIER -140.3 145.17 36.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.966 . . . . 0.0 110.751 -179.522 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -110.11 141.29 43.19 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.503 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.1 p -54.6 -177.75 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.221 -0.924 . . . . 0.0 110.263 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.779 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -84.95 -7.81 9.24 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.476 1.251 . . . . 0.0 111.671 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 t -165.91 46.76 0.08 Allowed 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 118.357 -1.337 . . . . 0.0 112.295 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 106.39 91.0 2.2 Favored Glycine 0 N--CA 1.494 2.558 0 C-N-CA 119.993 -1.099 . . . . 0.0 111.653 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 165.69 113.73 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.477 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.56 126.74 31.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 111.351 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.601 HG21 HD12 ' A' ' 49' ' ' LEU . 37.9 mm -117.82 149.21 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.638 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -123.11 -21.55 5.41 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.014 -1.054 . . . . 0.0 111.407 -179.106 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.591 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -155.42 -155.57 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.976 -1.078 . . . . 0.0 110.61 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -75.22 -46.15 35.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 110.261 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.62 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.0 t -54.53 -61.07 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.06 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.0 tp10 -49.5 -36.15 22.14 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.001 HD23 HD13 ' A' ' 59' ' ' LEU . 7.8 tp -65.69 -42.39 91.28 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 57' ' ' CYS . 52.0 m -65.9 -20.88 66.38 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 19.9 mmt85 -68.68 -55.94 9.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.277 -0.889 . . . . 0.0 109.567 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 8.7 t80 -56.78 -34.89 68.08 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.907 ' CD1' HD11 ' A' ' 59' ' ' LEU . 7.0 mt -80.41 -22.87 40.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.572 -0.705 . . . . 0.0 110.185 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.4 154.88 11.08 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.1 -21.97 31.16 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.881 1.464 . . . . 0.0 110.31 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.21 -19.37 36.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.408 -0.808 . . . . 0.0 110.114 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.475 ' O ' HG23 ' A' ' 50' ' ' THR . 8.5 t -88.61 132.22 34.64 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.257 -0.902 . . . . 0.0 110.069 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 173.67 6.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.403 -0.811 . . . . 0.0 110.326 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.001 HD13 HD23 ' A' ' 49' ' ' LEU . 52.1 mt -148.39 49.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 109.335 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 m -65.46 -13.24 58.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.623 -0.673 . . . . 0.0 111.102 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.431 ' HB3' ' O ' ' A' ' 70' ' ' CYS . 53.4 mt -97.38 -10.38 25.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.152 -0.968 . . . . 0.0 110.775 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' HD23 ' A' ' 69' ' ' LEU . 35.6 t80 -76.79 121.98 24.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.13 -0.981 . . . . 0.0 109.274 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -90.35 18.53 6.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.206 -0.934 . . . . 0.0 111.252 -179.005 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 63' ' ' ASP . 82.9 t80 55.63 -81.44 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.375 -0.828 . . . . 0.0 110.851 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -57.31 -52.77 64.0 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.222 -0.924 . . . . 0.0 110.665 -179.791 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HB3' HD11 ' A' ' 68' ' ' ILE . 12.3 mm-40 -53.75 -38.83 64.78 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.199 -0.938 . . . . 0.0 110.41 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.04 24.2 64.61 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.892 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.5 pp -136.68 154.62 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.23 -1.159 . . . . 0.0 110.136 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.919 HD12 ' O ' ' A' ' 10' ' ' ALA . 8.3 mt -92.89 78.23 4.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.18 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -117.71 -145.59 0.39 Allowed 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.357 -0.84 . . . . 0.0 109.873 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -97.91 157.81 33.96 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -69.72 -24.89 29.36 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.796 1.419 . . . . 0.0 110.292 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 53.35 97.39 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.436 -0.79 . . . . 0.0 110.771 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.69 -26.18 16.47 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 O-C-N 123.691 1.364 . . . . 0.0 110.333 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.276 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.465 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.626 0 O4'-C1'-N19 110.943 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.799 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.799 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.693 0 O4'-C1'-N19 110.939 3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.864 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-N19 110.695 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.864 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.848 1 O4'-C1'-N19 111.066 4.083 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.852 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.652 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.824 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.838 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.941 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.838 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.842 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.928 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.842 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C1'-N19 110.764 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.434 " O5'" H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.801 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.531 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.877 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.853 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C1'-N19 110.462 3.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.853 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.726 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.647 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.79 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.725 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.725 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.943 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.876 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.655 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.876 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 1.971 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.869 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.997 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.811 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.474 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.795 0 O4'-C1'-N19 110.923 3.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.147 0.498 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.18 22.0 3.0 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.337 -0.852 . . . . 0.0 110.417 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -122.66 0.55 9.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.347 -0.846 . . . . 0.0 110.531 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 t0 58.94 107.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.197 -0.94 . . . . 0.0 110.526 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 30.1 m95 -79.73 131.83 36.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.321 -0.862 . . . . 0.0 110.008 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -108.6 160.22 16.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.31 -0.869 . . . . 0.0 110.108 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.64 178.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.263 -0.898 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.1 t -152.21 88.59 4.07 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.413 -0.805 . . . . 0.0 109.947 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.7 Cg_endo -72.81 -6.6 19.31 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 O-C-N 123.995 1.523 . . . . 0.0 111.639 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.826 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -52.72 -37.26 58.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.231 -0.918 . . . . 0.0 110.939 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.94 HD22 ' CZ2' ' A' ' 15' ' ' TRP . 4.4 mp -111.89 -63.25 1.45 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.328 -0.857 . . . . 0.0 110.787 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.24 -160.17 24.09 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.74 145.98 37.57 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.888 1.467 . . . . 0.0 110.724 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.775 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 100.74 -36.93 3.83 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.94 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 77.4 m95 -60.76 147.75 41.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.415 -1.05 . . . . 0.0 110.868 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -140.17 151.7 45.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.717 . . . . 0.0 109.794 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -132.93 142.97 49.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 0.0 110.595 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.44 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 7.2 ttt180 -133.33 141.72 48.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.588 -0.695 . . . . 0.0 109.386 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.53 129.03 45.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 110.015 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.7 t -115.82 99.86 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.467 -0.771 . . . . 0.0 110.348 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -82.36 49.94 1.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.232 -0.918 . . . . 0.0 109.954 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.608 ' HE ' H5A1 ' B' ' 106' ' ' 5CM . 0.3 OUTLIER 49.16 -179.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.367 -0.833 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.507 ' N ' ' OP1' ' B' ' 106' ' ' 5CM . 18.0 ttpt -140.89 -36.53 0.46 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.435 -0.79 . . . . 0.0 109.868 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.472 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.4 OUTLIER 167.97 -168.16 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.455 -0.778 . . . . 0.0 110.772 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.96 -91.88 1.0 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.5 -43.08 0.15 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.598 -0.942 . . . . 0.0 108.975 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.584 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 44.4 p -75.31 -1.49 23.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.893 -0.505 . . . . 0.0 109.947 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -42.8 140.37 1.36 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.533 -0.73 . . . . 0.0 111.876 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.98 -17.03 49.65 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.511 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 57.0 mtp85 -82.18 149.76 27.75 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.189 -1.183 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 p -113.51 103.31 11.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 110.218 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 95.1 m-20 -99.91 124.41 45.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 110.058 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.594 HG22 ' CE2' ' A' ' 35' ' ' TYR . 94.4 m -99.25 112.4 24.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 0.0 110.057 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 86.1 m-85 -100.46 151.64 21.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.504 -0.747 . . . . 0.0 109.699 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.594 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -140.07 154.0 46.93 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.182 -0.949 . . . . 0.0 110.287 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -115.32 149.92 37.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.498 -0.751 . . . . 0.0 109.3 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.557 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 6.3 m -55.37 -178.22 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.39 -0.819 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.775 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.8 Cg_endo -85.93 1.81 7.8 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.301 1.158 . . . . 0.0 112.864 -177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.48 HG22 ' OH ' ' A' ' 52' ' ' TYR . 11.4 t -167.06 16.8 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.625 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 137.86 83.58 0.12 Allowed Glycine 0 N--CA 1.497 2.723 0 C-N-CA 118.592 -1.766 . . . . 0.0 112.2 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.557 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 4.4 t0 169.05 121.17 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.765 -0.844 . . . . 0.0 108.94 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 137.8 37.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.808 . . . . 0.0 110.875 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.869 HG23 ' HB3' ' A' ' 48' ' ' GLU . 47.1 mt -136.16 146.34 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.53 -0.731 . . . . 0.0 109.178 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HB2' ' C5A' ' C' ' 118' ' ' 5CM . 0.7 OUTLIER -131.95 1.69 3.95 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.112 -0.992 . . . . 0.0 111.383 -178.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.467 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 5.7 m -161.23 -165.87 1.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.849 -1.157 . . . . 0.0 110.513 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 9.1 ttpt -75.11 -47.19 29.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.178 -0.951 . . . . 0.0 109.947 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.552 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.2 t -52.94 -52.21 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 0.0 108.95 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.869 ' HB3' HG23 ' A' ' 43' ' ' ILE . 5.0 mm-40 -52.11 -40.05 60.74 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.996 HD23 HD13 ' A' ' 59' ' ' LEU . 3.1 tp -64.6 -40.3 95.27 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 57' ' ' CYS . 98.3 m -67.49 -22.51 65.46 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.0 mtp180 -68.41 -58.57 4.14 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.231 -0.918 . . . . 0.0 109.848 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 37' ' ' SER . 13.1 t80 -57.82 -29.93 65.32 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.293 -0.879 . . . . 0.0 109.986 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.886 ' CD1' HD11 ' A' ' 59' ' ' LEU . 19.2 mt -85.53 -14.62 45.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.416 -0.803 . . . . 0.0 110.445 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.48 153.86 16.79 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.429 -1.469 . . . . 0.0 109.429 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.01 -15.4 32.42 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 O-C-N 123.77 1.405 . . . . 0.0 110.513 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.38 -17.3 29.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 110.207 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 50' ' ' THR . 2.8 m -90.09 121.33 32.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.299 -0.875 . . . . 0.0 110.139 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.601 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -104.49 160.34 15.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 110.209 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.996 HD13 HD23 ' A' ' 49' ' ' LEU . 83.8 mt -139.27 55.5 1.69 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.435 -0.791 . . . . 0.0 110.016 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -12.03 61.0 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.4 -0.813 . . . . 0.0 110.559 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 71' ' ' TYR . 7.0 mt -96.22 -23.63 16.62 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 110.618 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.656 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 60.5 t80 -59.19 144.74 45.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.221 -0.924 . . . . 0.0 110.178 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.57 110.46 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.434 -0.792 . . . . 0.0 110.06 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -56.12 -23.93 37.47 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.374 -0.829 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -61.55 1.66 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.0 110.591 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.39 -52.33 47.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.299 -0.875 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.705 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 99.04 47.5 1.88 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG22 ' HG2' ' A' ' 9' ' ' PRO . 8.4 pt -147.1 150.47 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.489 -1.006 . . . . 0.0 110.055 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 10' ' ' ALA . 3.3 mt -97.04 77.47 2.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.389 -0.819 . . . . 0.0 109.918 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.813 ' SG ' ' HB2' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -66.93 79.44 0.12 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.47 -0.769 . . . . 0.0 110.303 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.582 ' CD1' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -69.86 -55.05 9.24 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.38 -0.825 . . . . 0.0 110.762 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 71' ' ' TYR . 46.4 Cg_endo -71.01 -3.13 12.22 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 123.725 1.382 . . . . 0.0 111.375 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.813 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . . . -50.23 117.27 7.59 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.032 -1.043 . . . . 0.0 110.559 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.53 156.72 53.75 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.645 1.339 . . . . 0.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 mttt . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.476 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.57 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.842 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.855 0 O4'-C1'-N19 110.5 3.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.842 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C1'-N19 110.98 3.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.848 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.841 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.848 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.715 0 O4'-C1'-N19 110.781 3.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.84 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.776 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.442 1.669 1 O4'-C1'-N19 111.22 4.274 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.875 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.992 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.861 0 O4'-C1'-N19 110.65 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.886 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.991 0 O4'-C1'-N19 110.813 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.886 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.818 1 O4'-C1'-N19 111.017 4.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.425 " H2'" ' H72' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.759 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.839 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.839 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.717 0 O4'-C1'-N19 110.8 3.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.652 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.824 0 O4'-C1'-N19 110.797 3.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.745 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 P--O5' 1.61 1.662 1 O4'-C1'-N19 111.091 4.114 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.881 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.881 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.856 0 O4'-C1'-N19 110.97 3.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.889 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.854 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.889 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.862 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.834 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.886 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.834 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.802 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.485 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.802 0 O4'-C1'-N19 110.941 3.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 121.183 0.516 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.17 16.02 3.81 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.306 -0.871 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.26 -51.92 64.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 0.0 109.858 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.55 60.52 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.468 -0.77 . . . . 0.0 110.031 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 4.9 m95 -79.85 95.15 5.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.206 -0.934 . . . . 0.0 110.21 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 6' ' ' LEU . 77.6 mt -99.57 147.07 25.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.368 -0.832 . . . . 0.0 109.813 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -49.69 167.87 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.39 -0.819 . . . . 0.0 110.785 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.3 t -144.1 85.29 9.02 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 121.471 -0.768 . . . . 0.0 109.649 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.0 Cg_endo -70.57 -8.67 24.15 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 O-C-N 123.872 1.459 . . . . 0.0 111.282 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.919 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -60.79 -15.07 25.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.241 -0.912 . . . . 0.0 110.852 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.747 ' CD2' HD11 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -127.53 -67.64 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.017 -1.052 . . . . 0.0 110.668 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.57 -169.56 39.46 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 119.657 -1.259 . . . . 0.0 110.188 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.68 109.31 2.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.903 1.475 . . . . 0.0 110.752 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.79 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.19 -38.03 1.58 Allowed Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CH2' HD12 ' A' ' 49' ' ' LEU . 78.4 m95 -65.29 140.75 58.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.54 -0.977 . . . . 0.0 111.304 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -132.1 149.11 52.49 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.735 -0.603 . . . . 0.0 109.404 179.338 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.26 142.38 47.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.258 -0.901 . . . . 0.0 110.573 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 34.1 ttp85 -137.57 132.27 32.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.604 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.55 136.99 38.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.211 -0.931 . . . . 0.0 110.175 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 31' ' ' SER . 22.3 t -120.5 100.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.569 -0.707 . . . . 0.0 109.978 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 22' ' ' ARG . 42.3 t80 -81.92 41.78 0.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.608 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.37 163.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.428 -0.795 . . . . 0.0 111.127 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.1 mmtt -129.63 -33.84 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.5 OUTLIER 167.03 -165.59 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.293 -0.879 . . . . 0.0 110.799 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -69.42 0.47 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -172.41 -39.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.655 -0.909 . . . . 0.0 108.554 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.513 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 22.1 p -80.19 -0.18 35.05 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.626 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.608 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 10.0 t -42.58 133.9 3.27 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.597 -0.689 . . . . 0.0 111.738 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.02 -12.52 37.69 Favored Glycine 0 N--CA 1.493 2.488 0 C-N-CA 119.975 -1.107 . . . . 0.0 110.65 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.479 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 82.7 mtt180 -88.51 150.73 22.95 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.958 -1.319 . . . . 0.0 110.122 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 46.8 p -114.51 101.47 9.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.6 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 2.0 m-20 -99.76 124.82 45.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.421 -0.799 . . . . 0.0 109.879 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.631 HG22 ' CE2' ' A' ' 35' ' ' TYR . 31.0 m -98.91 126.01 44.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.228 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 54.7 m-85 -110.61 158.14 18.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.554 -0.716 . . . . 0.0 109.722 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.631 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.5 OUTLIER -140.28 145.73 37.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 110.566 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 62.9 tt0 -107.33 147.22 30.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.473 -0.767 . . . . 0.0 109.357 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.565 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -54.15 -176.47 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.533 -0.729 . . . . 0.0 110.43 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.79 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.6 Cg_endo -85.08 -10.29 8.13 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 O-C-N 123.588 1.309 . . . . 0.0 110.462 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -164.94 19.75 0.05 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 118.641 -1.223 . . . . 0.0 112.58 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.88 85.23 0.11 Allowed Glycine 0 N--CA 1.496 2.696 0 C-N-CA 118.966 -1.588 . . . . 0.0 112.117 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.565 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 172.22 116.12 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.511 -0.993 . . . . 0.0 109.167 178.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.81 120.74 24.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.303 -0.873 . . . . 0.0 111.28 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 48' ' ' GLU . 42.7 mm -119.4 151.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 0.9 OUTLIER -127.07 -18.07 4.68 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.032 -1.043 . . . . 0.0 111.629 -178.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.564 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.6 OUTLIER -151.48 -160.24 1.13 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.944 -1.098 . . . . 0.0 111.134 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -76.52 -44.59 34.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.497 -0.752 . . . . 0.0 109.965 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.559 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 7.5 t -58.92 -58.7 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.0 109.174 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.615 ' HB3' HG23 ' A' ' 43' ' ' ILE . 4.0 tt0 -49.85 -39.01 37.7 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.445 -0.785 . . . . 0.0 109.212 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.747 HD11 ' CD2' ' A' ' 11' ' ' LEU . 64.4 tp -66.21 -42.12 89.19 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.0 m -66.4 -15.19 63.11 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.769 -0.582 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.501 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 5.1 mtp180 -78.29 -59.85 2.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 0.0 110.376 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 3.8 t80 -59.72 -23.73 63.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.322 -0.861 . . . . 0.0 110.283 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.679 ' CD1' HD11 ' A' ' 59' ' ' LEU . 33.1 mt -88.89 3.75 50.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.596 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.14 154.62 30.06 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.01 -21.67 20.46 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.747 1.393 . . . . 0.0 110.614 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.16 12.18 18.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.292 -0.88 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 t -121.72 67.59 0.91 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.154 -0.966 . . . . 0.0 110.097 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.565 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.6 m-20 -62.07 170.47 2.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.346 -0.846 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.679 HD11 ' CD1' ' A' ' 53' ' ' LEU . 87.5 mt -138.85 50.27 1.85 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.998 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.99 -23.08 30.51 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.354 -0.841 . . . . 0.0 110.58 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.837 HD22 ' HB2' ' A' ' 71' ' ' TYR . 18.5 mt -96.41 16.47 18.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 23.6 t80 -107.53 114.65 28.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.25 -0.906 . . . . 0.0 109.821 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.92 128.54 33.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.314 -0.866 . . . . 0.0 109.68 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.22 -57.2 9.1 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -58.28 -49.41 77.23 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.343 -0.848 . . . . 0.0 110.755 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.41 -51.92 18.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.305 -0.872 . . . . 0.0 110.371 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.45 44.33 7.46 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.919 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -146.69 155.34 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.414 -1.05 . . . . 0.0 110.316 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 61' ' ' LEU . 7.8 mt -90.23 84.53 6.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.902 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 38.8 t -47.77 -27.07 1.83 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.5 -0.75 . . . . 0.0 110.672 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.837 ' HB2' HD22 ' A' ' 61' ' ' LEU . 46.9 m-85 -119.19 128.16 26.09 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.057 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 46.4 Cg_endo -72.88 -31.94 9.56 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.518 1.272 . . . . 0.0 110.435 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.729 ' HB1' ' HD2' ' A' ' 74' ' ' PRO . . . 56.51 173.25 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.409 -0.807 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 73' ' ' ALA . 46.7 Cg_endo -73.62 -51.69 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.8 1.421 . . . . 0.0 110.428 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.246 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.457 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C1'-N19 110.825 3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.855 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C1'-N19 110.638 3.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.855 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.812 0 O4'-C1'-N19 110.904 3.88 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.856 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.861 0 O4'-C1'-N19 110.654 3.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.856 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.863 1 O4'-C1'-N19 111.046 4.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.872 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.778 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.714 1 O4'-C1'-N19 111.32 4.4 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.869 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.1 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.869 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 0 O4'-C1'-N19 110.742 3.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.867 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.95 0 O4'-C1'-N19 110.809 3.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.867 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.865 0 O4'-C1'-N19 110.95 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.465 ' C6 ' H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.788 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.45 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.726 0 O4'-C1'-N19 110.963 3.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.871 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.871 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.669 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.587 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.587 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.708 1 O4'-C1'-N19 111.357 4.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.874 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.874 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.84 1 O4'-C1'-N19 111.078 4.098 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.877 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C1'-N19 110.986 3.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.877 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.779 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.873 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.927 0 O4'-C1'-N19 110.795 3.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.835 0 O4'-C1'-N19 110.987 3.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.476 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.822 0 O4'-C1'-N19 110.934 3.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.309 0.576 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.31 -25.09 15.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 110.362 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 18' ' ' ARG . 1.4 tt0 -87.23 83.67 7.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.334 -0.854 . . . . 0.0 110.072 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.423 ' O ' ' CD1' ' A' ' 5' ' ' TRP . 2.8 p30 -145.7 -144.13 0.15 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.337 -0.852 . . . . 0.0 109.41 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.427 ' NE1' ' HD2' ' A' ' 18' ' ' ARG . 56.9 m95 -154.36 107.17 2.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.097 -1.002 . . . . 0.0 110.119 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -108.49 160.25 16.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 0.0 109.897 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 166.04 3.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 51.9 t -143.96 87.33 8.07 Favored Pre-proline 0 N--CA 1.487 1.421 0 O-C-N 121.566 -0.709 . . . . 0.0 109.257 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.56 -2.48 10.82 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 O-C-N 124.106 1.582 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.887 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -58.96 -14.43 9.23 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.009 -1.057 . . . . 0.0 110.879 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.955 HD11 HD21 ' A' ' 49' ' ' LEU . 4.6 mp -130.23 -69.59 0.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.103 -0.998 . . . . 0.0 110.633 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.35 -164.75 28.37 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.52 139.75 28.92 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 O-C-N 123.879 1.463 . . . . 0.0 110.715 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.737 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 108.29 -37.48 3.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.784 ' CE2' HD22 ' A' ' 11' ' ' LEU . 57.0 m95 -59.25 137.84 57.82 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.549 -0.971 . . . . 0.0 111.344 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 140.78 46.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.596 -0.69 . . . . 0.0 109.224 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -123.38 148.02 46.5 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.175 -0.953 . . . . 0.0 111.003 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' A' ' 33' ' ' THR . 17.0 ttt180 -135.91 143.39 44.94 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 109.911 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.27 129.61 46.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 110.236 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 31' ' ' SER . 47.7 t -115.11 95.08 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.817 . . . . 0.0 109.975 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -79.86 51.35 1.31 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.315 -0.866 . . . . 0.0 110.54 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HE ' H5A1 ' B' ' 106' ' ' 5CM . 0.2 OUTLIER 49.7 173.54 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.932 0.872 . . . . 0.0 111.404 179.38 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' SER . 2.5 ttmm -126.87 -41.11 1.84 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.52 -0.737 . . . . 0.0 109.145 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 1.8 p 163.7 -177.59 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.775 -0.578 . . . . 0.0 110.498 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.59 -96.56 0.84 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.37 -46.91 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.615 -0.932 . . . . 0.0 108.839 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.6 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 76.0 p -74.09 -5.64 42.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.934 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.602 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 28.1 p -40.47 144.92 0.2 Allowed 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.414 0.626 . . . . 0.0 111.947 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.46 -19.52 52.29 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 8.8 mtp85 -78.67 152.8 31.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -1.2 . . . . 0.0 110.309 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 3.4 t -118.2 105.28 11.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.405 -0.809 . . . . 0.0 110.209 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.4 m-20 -99.32 123.83 43.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.448 -0.783 . . . . 0.0 109.789 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' ARG . 2.0 m -98.99 113.81 26.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.397 -0.814 . . . . 0.0 110.424 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 91.2 m-85 -107.37 143.03 36.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.565 -0.709 . . . . 0.0 109.498 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.422 ' OH ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.1 149.14 42.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.171 -0.955 . . . . 0.0 110.391 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -104.88 153.87 20.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.465 -0.772 . . . . 0.0 109.666 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.566 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 4.1 p -56.06 -175.1 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 121.508 -0.745 . . . . 0.0 110.249 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.737 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.5 Cg_endo -82.91 -8.82 11.0 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.597 1.314 . . . . 0.0 111.269 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 t -168.58 22.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.19 -1.404 . . . . 0.0 113.12 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.84 77.22 0.03 OUTLIER Glycine 0 N--CA 1.498 2.774 0 C-N-CA 118.659 -1.734 . . . . 0.0 112.302 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.51 106.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.505 -0.997 . . . . 0.0 109.42 177.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.614 ' C ' HD12 ' A' ' 43' ' ' ILE . 10.3 tpp180 -80.16 125.44 29.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.753 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 42' ' ' ARG . 1.4 mp -112.79 145.58 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.425 -0.797 . . . . 0.0 109.537 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.602 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 40.8 mtt180 -119.08 3.45 11.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.407 -0.808 . . . . 0.0 110.454 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 1.046 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -169.64 -165.66 0.52 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.169 -0.957 . . . . 0.0 110.393 -179.335 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 45' ' ' SER . 5.7 ttpt -78.57 -40.8 33.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.387 -0.821 . . . . 0.0 108.796 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.506 HG23 H5'' ' C' ' 117' ' ' ' DC' . 39.7 t -58.74 -52.29 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.34 -0.85 . . . . 0.0 108.844 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.487 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 4.9 mm-40 -51.34 -37.85 49.99 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.006 HD23 HD13 ' A' ' 59' ' ' LEU . 2.4 tp -67.37 -44.94 77.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.1 m -63.42 -17.23 62.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.753 -0.592 . . . . 0.0 110.105 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 8.1 mtt-85 -76.83 -60.66 2.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 110.454 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 3.5 t80 -58.88 -21.07 56.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.324 -0.86 . . . . 0.0 110.373 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.794 ' CD1' HD11 ' A' ' 59' ' ' LEU . 45.3 mt -92.24 -18.24 23.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.3 -0.875 . . . . 0.0 110.495 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.39 156.65 18.63 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.55 -19.25 32.58 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.877 1.461 . . . . 0.0 110.454 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.08 14.03 17.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.878 . . . . 0.0 110.305 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.5 m -120.47 67.98 0.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.344 -0.848 . . . . 0.0 110.026 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -57.71 159.4 5.26 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.331 -0.856 . . . . 0.0 110.352 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.006 HD13 HD23 ' A' ' 49' ' ' LEU . 97.7 mt -140.66 50.36 1.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.481 -0.762 . . . . 0.0 110.106 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -27.37 69.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.359 -0.838 . . . . 0.0 110.225 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.481 HD21 ' CE1' ' A' ' 71' ' ' TYR . 4.5 mt -77.67 -19.07 55.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.383 -0.823 . . . . 0.0 110.484 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 34.1 t80 -68.84 147.11 52.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.227 -0.921 . . . . 0.0 110.278 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.27 117.74 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.412 -0.805 . . . . 0.0 110.165 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CD1' ' OH ' ' A' ' 35' ' ' TYR . 51.7 t80 -58.07 -30.37 66.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.45 -0.781 . . . . 0.0 110.262 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -90.35 -63.88 1.21 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.261 -0.899 . . . . 0.0 110.482 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -60.37 -35.92 76.85 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.325 -0.859 . . . . 0.0 110.581 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.63 42.79 31.47 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.887 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -145.19 159.78 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.429 -1.042 . . . . 0.0 110.201 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 61' ' ' LEU . 4.8 mt -83.8 73.16 10.33 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.476 -0.765 . . . . 0.0 110.046 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.5 t -91.92 -138.56 0.17 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.391 -0.818 . . . . 0.0 110.052 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.481 ' CE1' HD21 ' A' ' 61' ' ' LEU . 6.7 m-85 -144.53 68.59 15.0 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.189 -0.944 . . . . 0.0 110.297 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 61' ' ' LEU . 45.5 Cg_endo -72.34 73.67 2.69 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 O-C-N 123.693 1.365 . . . . 0.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 52.18 83.01 0.23 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.323 -0.861 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.53 152.66 54.47 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 O-C-N 123.769 1.405 . . . . 0.0 110.513 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.186 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.493 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.701 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.848 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.966 0 O4'-C1'-N19 110.492 3.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.848 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.687 0 O4'-C1'-N19 110.873 3.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.834 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.834 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.627 0 O4'-C1'-N19 110.783 3.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.879 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.781 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.915 1 O4'-C1'-N19 111.237 4.297 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.858 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C1'-N19 110.983 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.858 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 1.964 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.859 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.991 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.859 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.792 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.471 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.759 0 O4'-C1'-N19 110.891 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.405 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.833 0 O4'-C1'-N19 110.803 3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.821 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.031 0 O4'-C1'-N19 110.547 3.434 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.821 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.618 0 O4'-C1'-N19 110.836 3.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.664 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.691 1 O4'-C1'-N19 111.06 4.075 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 1.046 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.524 1.642 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.841 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.841 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.895 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.931 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.895 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.897 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.899 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.923 0 O4'-C1'-N19 110.836 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.899 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.823 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.466 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.766 0 O4'-C1'-N19 110.895 3.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.218 0.533 . . . . 0.0 110.149 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.84 100.44 13.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.429 -0.794 . . . . 0.0 110.203 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -79.26 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.362 -0.836 . . . . 0.0 110.18 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.93 116.63 0.29 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.261 -0.9 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 25.3 m95 -104.25 115.06 29.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.326 -0.859 . . . . 0.0 109.972 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 mt -102.6 160.59 14.44 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.375 -0.828 . . . . 0.0 110.188 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.3 175.81 1.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.185 -0.947 . . . . 0.0 110.422 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -148.92 87.33 5.45 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.437 -0.79 . . . . 0.0 109.572 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HG2' HG22 ' A' ' 68' ' ' ILE . 41.3 Cg_endo -72.89 -5.69 17.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.903 1.475 . . . . 0.0 111.685 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.868 ' O ' HD12 ' A' ' 69' ' ' LEU . . . -52.24 -63.97 0.97 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.202 -0.936 . . . . 0.0 110.917 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.72 HD21 ' CD2' ' A' ' 49' ' ' LEU . 2.8 mp -79.68 -57.74 3.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.387 -0.82 . . . . 0.0 110.472 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 -171.56 44.22 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.33 97.78 1.05 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.9 1.474 . . . . 0.0 110.708 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.839 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 162.5 -31.23 0.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.67 ' CE2' HD22 ' A' ' 11' ' ' LEU . 60.4 m95 -75.08 158.94 32.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.516 -0.991 . . . . 0.0 111.817 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 22.3 mmtt -138.84 149.82 45.34 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.46 145.14 47.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.164 -0.96 . . . . 0.0 110.762 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -140.13 134.89 31.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.698 -0.627 . . . . 0.0 109.412 179.355 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.5 122.89 43.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.195 -0.941 . . . . 0.0 110.16 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 34' ' ' TYR . 16.5 t -108.64 96.87 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.534 -0.729 . . . . 0.0 110.406 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.512 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.1 t80 -84.9 42.97 0.96 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.327 -0.858 . . . . 0.0 109.951 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.83 165.06 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.643 0.735 . . . . 0.0 111.033 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -131.8 -33.63 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.013 . . . . 0.0 110.481 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 3.0 t 169.94 -173.38 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.365 -0.834 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.504 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 105.76 -95.01 1.03 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.22 -41.75 0.23 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.594 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 39.8 p -76.71 -1.03 25.87 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.905 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.3 p -44.23 135.02 4.66 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.544 -0.723 . . . . 0.0 111.661 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.51 -12.77 36.06 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.024 -1.084 . . . . 0.0 110.581 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 12.4 mtt180 -89.28 150.31 22.67 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.026 -1.279 . . . . 0.0 110.369 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 79.9 p -116.91 105.98 12.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -110.01 128.47 55.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 109.983 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.647 HG22 ' CE2' ' A' ' 35' ' ' TYR . 29.9 m -99.54 122.47 42.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 0.0 110.187 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CD1' HG21 ' A' ' 20' ' ' VAL . 42.2 m-85 -105.1 158.83 16.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.439 -0.788 . . . . 0.0 109.467 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.647 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.4 OUTLIER -140.27 143.8 36.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.111 -0.993 . . . . 0.0 110.975 -179.23 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.449 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 2.2 tt0 -99.77 145.44 27.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.502 -0.749 . . . . 0.0 109.15 178.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.543 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -53.25 -177.87 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.54 -0.725 . . . . 0.0 110.906 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.839 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.3 Cg_endo -81.86 -8.73 12.16 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.538 1.283 . . . . 0.0 111.431 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -159.96 -7.21 0.06 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.196 -1.402 . . . . 0.0 113.206 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.61 82.01 0.04 OUTLIER Glycine 0 N--CA 1.497 2.713 0 C-N-CA 118.53 -1.795 . . . . 0.0 111.978 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.543 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 t70 172.89 118.48 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.597 -0.943 . . . . 0.0 108.927 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.51 136.35 36.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.26 -0.9 . . . . 0.0 110.883 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.596 HD13 ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -128.5 160.31 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.585 -0.697 . . . . 0.0 109.427 179.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.594 ' CB ' H5A3 ' C' ' 118' ' ' 5CM . 1.4 mtt180 -140.6 3.68 1.9 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.497 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 2.1 m -163.58 -169.36 1.91 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.871 -1.143 . . . . 0.0 110.594 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 15.4 ttpt -79.92 -45.96 17.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.22 -0.925 . . . . 0.0 109.471 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.506 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 30.8 t -55.13 -45.94 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.468 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -54.12 -37.07 63.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.138 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.783 HD23 HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -69.51 -47.71 62.94 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.325 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -58.53 -21.67 53.01 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.187 0.518 . . . . 0.0 110.028 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.4 mtt180 -74.53 -55.46 5.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.229 -0.919 . . . . 0.0 110.204 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.474 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 1.9 t80 -66.12 -12.8 58.1 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.459 -0.776 . . . . 0.0 110.771 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.694 ' CD1' HD11 ' A' ' 59' ' ' LEU . 52.9 mt -104.2 -1.22 27.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 0.0 110.875 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.17 154.12 23.21 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.39 -24.45 26.78 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 O-C-N 123.759 1.4 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.24 21.93 9.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.306 -0.871 . . . . 0.0 110.126 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -116.12 62.97 0.7 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 0.0 110.077 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 160.38 7.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.337 -0.852 . . . . 0.0 110.355 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.783 HD13 HD23 ' A' ' 49' ' ' LEU . 96.8 mt -138.52 67.62 1.4 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.471 -0.768 . . . . 0.0 110.076 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -8.87 57.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.375 -0.828 . . . . 0.0 110.505 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.567 HD22 ' HA ' ' A' ' 71' ' ' TYR . 5.4 mt -99.25 -19.34 17.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.947 . . . . 0.0 110.569 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.651 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 68.0 t80 -73.9 129.84 38.69 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.321 -0.862 . . . . 0.0 110.111 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.8 t0 -92.67 122.77 35.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.659 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -59.07 -59.04 6.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.367 -0.833 . . . . 0.0 110.329 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.2 -58.11 9.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.389 -0.819 . . . . 0.0 111.074 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 27.3 mt-30 -66.04 -55.94 14.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.163 -0.961 . . . . 0.0 110.569 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 90.78 50.92 2.77 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.574 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.4 pt -147.45 157.67 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.408 -1.054 . . . . 0.0 110.261 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.8 mt -106.53 84.65 2.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 109.901 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 14.0 m -51.38 -51.6 53.2 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.426 -0.796 . . . . 0.0 110.541 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.567 ' HA ' HD22 ' A' ' 61' ' ' LEU . 5.3 t80 51.94 56.72 16.01 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.357 -0.839 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.17 -165.04 0.19 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.804 1.423 . . . . 0.0 110.463 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.94 149.62 32.83 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.374 -0.829 . . . . 0.0 110.403 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.28 -170.79 0.69 Allowed 'Trans proline' 0 C--N 1.31 -1.476 0 O-C-N 123.77 1.405 . . . . 0.0 110.434 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.204 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.476 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.737 0 O4'-C1'-N19 110.797 3.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.851 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.444 1.855 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.851 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.706 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.861 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.853 0 O4'-C1'-N19 110.582 3.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.861 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.757 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.876 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.757 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.721 1 O4'-C1'-N19 111.349 4.436 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.873 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.835 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.827 0 O4'-C1'-N19 110.686 3.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.832 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.943 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.832 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.891 1 O4'-C1'-N19 111.059 4.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.755 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.469 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.783 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.875 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.96 0 O4'-C1'-N19 110.554 3.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.693 0 O4'-C1'-N19 110.854 3.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.686 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.7 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.781 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.725 1 O4'-C1'-N19 111.203 4.253 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.816 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.816 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.888 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.897 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.731 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.897 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.877 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.911 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.877 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.784 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.467 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.765 0 O4'-C1'-N19 110.98 3.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.115 0.483 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . -76.43 97.79 4.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.442 -0.786 . . . . 0.0 110.076 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.29 -79.35 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.512 -0.742 . . . . 0.0 110.265 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -172.61 101.96 0.15 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.284 -0.885 . . . . 0.0 110.102 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.429 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 23.0 m95 -85.23 123.42 30.7 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.382 -0.824 . . . . 0.0 110.227 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.66 160.56 16.58 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.336 -0.853 . . . . 0.0 110.147 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -72.35 173.27 8.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.209 -0.932 . . . . 0.0 110.393 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -150.18 89.14 4.61 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.42 -0.8 . . . . 0.0 109.685 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.8 Cg_endo -72.34 -4.95 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 O-C-N 123.992 1.522 . . . . 0.0 111.616 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.743 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -59.63 -16.01 23.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.069 -1.02 . . . . 0.0 110.991 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.999 HD11 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -126.5 -69.3 0.77 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.985 -1.072 . . . . 0.0 110.417 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.22 -162.4 27.93 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.11 141.49 32.77 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.829 1.436 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.8 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 106.21 -30.42 9.65 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.971 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 50.8 m95 -66.86 140.72 57.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.44 -1.035 . . . . 0.0 111.664 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 19.0 mmtt -140.13 147.64 40.5 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.764 -0.585 . . . . 0.0 109.441 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 35' ' ' TYR . 60.2 ttp180 -125.38 150.37 47.29 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 110.586 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 45.3 ttp85 -140.11 140.77 36.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.541 -0.724 . . . . 0.0 109.579 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.91 137.73 37.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 34' ' ' TYR . 24.6 t -121.57 98.04 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.407 -0.808 . . . . 0.0 109.892 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.3 m-85 -80.1 46.16 0.79 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.163 -0.961 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.613 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 51.82 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.259 -0.9 . . . . 0.0 111.086 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -131.71 -33.42 1.41 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.096 -1.002 . . . . 0.0 110.638 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.5 OUTLIER 167.58 -165.65 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.275 -0.89 . . . . 0.0 110.944 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.87 -73.84 0.47 Allowed Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.88 -40.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.499 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 24.0 p -77.63 -1.47 31.07 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.606 178.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.613 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 11.9 t -41.47 133.33 2.57 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.575 -0.703 . . . . 0.0 111.721 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.47 -15.4 29.8 Favored Glycine 0 N--CA 1.493 2.493 0 C-N-CA 120.011 -1.09 . . . . 0.0 110.751 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 80.0 mtt180 -83.96 166.41 17.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.968 -1.313 . . . . 0.0 110.301 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 32.1 p -127.0 103.19 7.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.428 -0.795 . . . . 0.0 110.624 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.8 m-20 -99.98 122.17 42.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.496 -0.753 . . . . 0.0 109.786 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.633 HG22 ' CE2' ' A' ' 35' ' ' TYR . 90.7 m -99.01 120.96 40.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 110.078 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 73.2 m-85 -106.6 160.43 15.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.506 -0.746 . . . . 0.0 109.713 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.633 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.9 OUTLIER -138.85 150.53 46.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.028 -1.045 . . . . 0.0 110.865 -179.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.95 138.42 50.36 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.595 ' OG ' ' HB3' ' A' ' 41' ' ' ASP . 4.3 m -53.26 176.31 0.1 Allowed Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 110.288 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.8 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.2 Cg_endo -82.39 0.23 9.85 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.308 1.162 . . . . 0.0 112.259 -178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -165.39 20.28 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.872 -1.531 . . . . 0.0 113.024 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.47 80.04 0.17 Allowed Glycine 0 N--CA 1.495 2.594 0 C-N-CA 118.925 -1.607 . . . . 0.0 112.337 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.595 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.1 OUTLIER 178.06 116.8 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.485 -1.009 . . . . 0.0 109.519 177.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -79.86 137.93 37.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.387 -0.821 . . . . 0.0 110.712 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.882 HG21 HD12 ' A' ' 49' ' ' LEU . 28.3 mt -140.18 150.92 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.509 -0.744 . . . . 0.0 109.413 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.447 ' HB2' ' C5A' ' C' ' 118' ' ' 5CM . 0.1 OUTLIER -127.69 -2.74 6.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 111.353 -178.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.521 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 21.3 m -159.15 -166.73 1.9 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.88 -1.137 . . . . 0.0 110.429 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 18.5 ttpt -77.08 -47.16 21.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.223 -0.923 . . . . 0.0 110.058 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.557 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.8 t -51.8 -49.38 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 108.785 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.858 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -51.57 -36.18 44.31 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.264 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.999 HD21 HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -67.14 -44.29 80.18 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.035 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.6 m -63.3 -17.51 62.61 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.089 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 15.2 mtp180 -77.84 -63.93 1.27 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.279 -0.888 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 4.1 t80 -57.93 -27.38 63.32 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.306 -0.871 . . . . 0.0 110.23 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.765 ' CD1' HD11 ' A' ' 59' ' ' LEU . 50.5 mt -83.42 1.8 39.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.393 -0.817 . . . . 0.0 110.439 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.52 154.29 30.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -75.12 -3.87 14.55 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.722 1.38 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.54 -11.71 19.06 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.193 -0.942 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.59 -166.09 0.05 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.027 -1.046 . . . . 0.0 110.244 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -169.55 129.84 1.04 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.814 HD13 HD23 ' A' ' 49' ' ' LEU . 34.7 mt -133.71 43.44 2.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.386 -0.821 . . . . 0.0 109.817 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -21.22 59.88 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.481 -0.762 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.36 -20.1 20.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.389 -0.819 . . . . 0.0 110.4 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.656 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 27.6 t80 -61.22 135.57 57.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.232 -0.918 . . . . 0.0 110.217 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.9 t70 -101.63 135.9 42.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.478 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -74.97 -66.66 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 110.848 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -28.93 23.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.302 -0.874 . . . . 0.0 111.26 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.768 ' OE1' HD11 ' A' ' 68' ' ' ILE . 41.2 mt-30 -96.3 -47.98 5.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.176 -0.952 . . . . 0.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.99 47.7 6.08 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.768 HD11 ' OE1' ' A' ' 66' ' ' GLN . 0.9 OUTLIER -145.46 159.64 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.311 -1.111 . . . . 0.0 110.184 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' TYR . 4.6 mt -88.26 80.4 7.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 110.063 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.8 t -47.36 91.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.546 0.688 . . . . 0.0 110.659 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' LEU . 91.5 m-85 -44.29 160.02 0.24 Allowed Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.86 -0.525 . . . . 0.0 110.944 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.69 146.72 43.82 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 O-C-N 123.968 1.51 . . . . 0.0 110.469 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.82 156.32 29.66 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.426 -0.796 . . . . 0.0 110.19 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -72.48 -82.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.688 1.362 . . . . 0.0 110.65 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.265 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.541 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.809 0 O4'-C1'-N19 110.964 3.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.875 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.745 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.68 ' H72' " H2'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.078 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.639 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.989 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.816 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.784 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.826 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.879 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.926 1 O4'-C1'-N19 111.242 4.303 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.879 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.9 0 O4'-C1'-N19 110.607 3.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.851 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.443 1.796 0 O4'-C1'-N19 110.75 3.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.851 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.799 0 O4'-C1'-N19 110.974 3.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.872 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.526 " H2'" ' H72' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.832 1 O4'-C1'-N19 111.026 4.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.843 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.734 0 O4'-C1'-N19 110.544 3.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.843 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.677 0 O4'-C1'-N19 110.72 3.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.683 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.683 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.742 1 O4'-C1'-N19 111.178 4.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.848 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.848 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.862 0 O4'-C1'-N19 110.861 3.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.849 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O4'-C1'-N19 110.797 3.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.849 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.889 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.894 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C1'-N19 110.713 3.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.894 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.827 0 O4'-C1'-N19 110.943 3.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.472 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.741 0 O4'-C1'-N19 110.894 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.16 0.505 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.96 114.19 18.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.387 -0.821 . . . . 0.0 110.207 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -64.77 0.8 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.389 -0.819 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -168.82 79.84 0.13 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.396 -0.815 . . . . 0.0 110.125 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 24.1 m95 -81.77 110.49 17.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 148.47 26.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.411 -0.805 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.17 159.9 1.75 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 110.642 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.84 80.73 48.45 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.502 -0.749 . . . . 0.0 109.564 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HG2' HG22 ' A' ' 68' ' ' ILE . 39.4 Cg_endo -70.47 -5.21 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 O-C-N 123.961 1.506 . . . . 0.0 111.371 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.859 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -58.4 -15.65 11.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.244 -0.91 . . . . 0.0 111.027 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.78 ' CD2' HD11 ' A' ' 49' ' ' LEU . 1.1 mp -126.9 -69.1 0.77 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.001 -1.062 . . . . 0.0 110.614 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.28 -178.77 38.7 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.55 91.6 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.858 1.452 . . . . 0.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.807 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 164.31 -31.08 0.25 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.693 ' CH2' HD12 ' A' ' 49' ' ' LEU . 78.2 m95 -72.68 143.74 47.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.485 -1.009 . . . . 0.0 111.469 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 6.2 mmtt -130.97 153.34 49.31 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.2 148.68 52.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 110.569 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -139.92 160.19 40.48 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.21 -0.931 . . . . 0.0 110.173 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.15 131.18 55.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.377 -0.827 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.601 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -118.37 95.26 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.353 -0.842 . . . . 0.0 110.134 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -83.52 42.41 0.83 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.498 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.37 169.66 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.357 -0.84 . . . . 0.0 111.172 179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' SER . 1.2 tppt? -137.76 -32.32 0.75 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.121 -0.987 . . . . 0.0 110.698 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 6.2 t 169.13 -170.76 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.441 -0.787 . . . . 0.0 110.677 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.499 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 104.0 -76.43 0.27 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.16 -40.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.96 . . . . 0.0 108.581 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.527 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 29.9 p -78.5 0.94 24.04 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.539 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.21 135.27 3.39 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.612 -0.68 . . . . 0.0 111.798 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 -14.21 39.57 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.702 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 54.3 mtt180 -86.03 143.58 28.03 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.029 -1.277 . . . . 0.0 110.278 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 56.7 p -113.17 102.07 10.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.438 -0.789 . . . . 0.0 110.46 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.35 131.35 51.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.772 . . . . 0.0 109.957 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 18' ' ' ARG . 24.8 m -99.28 121.73 41.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD1' HG21 ' A' ' 20' ' ' VAL . 33.5 m-85 -103.08 157.96 16.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.889 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -140.2 155.12 47.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.214 -0.929 . . . . 0.0 110.264 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 29.2 tt0 -115.21 148.73 38.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.846 . . . . 0.0 109.453 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.597 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -54.28 -174.9 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.501 -0.749 . . . . 0.0 110.465 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.807 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 51.4 Cg_endo -81.5 -20.49 6.89 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 O-C-N 123.483 1.254 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -156.53 15.06 0.3 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.386 -1.325 . . . . 0.0 113.061 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 151.78 83.13 0.04 OUTLIER Glycine 0 N--CA 1.497 2.753 0 C-N-CA 118.492 -1.813 . . . . 0.0 112.426 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.597 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.27 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.68 -0.894 . . . . 0.0 109.202 177.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -98.8 118.44 35.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.26 -0.9 . . . . 0.0 111.205 -179.053 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.409 HG12 ' CH2' ' A' ' 15' ' ' TRP . 1.2 mp -108.47 148.91 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 33.1 mtt180 -132.71 1.91 3.7 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.214 -0.929 . . . . 0.0 111.13 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.546 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -166.44 -165.73 0.8 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.891 -1.13 . . . . 0.0 110.967 -179.778 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -71.37 -52.31 19.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.287 -0.883 . . . . 0.0 109.531 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.514 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 5.7 t -52.24 -57.79 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.592 -0.693 . . . . 0.0 109.378 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -47.99 -46.86 33.15 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.672 0.749 . . . . 0.0 109.62 179.082 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.78 HD11 ' CD2' ' A' ' 11' ' ' LEU . 61.5 tp -63.73 -47.13 82.33 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.726 0.774 . . . . 0.0 109.002 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -61.2 -15.47 34.54 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.691 -0.631 . . . . 0.0 110.324 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.4 mtt180 -79.68 -62.68 1.61 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.117 -0.989 . . . . 0.0 110.73 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.591 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 17.6 t80 -53.15 -27.95 23.63 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.216 -0.927 . . . . 0.0 110.56 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.69 HD11 ' CD2' ' A' ' 11' ' ' LEU . 16.4 mt -80.63 -6.65 58.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.372 -0.83 . . . . 0.0 110.826 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.94 156.95 28.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.61 -20.79 26.4 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.959 1.505 . . . . 0.0 110.394 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.66 25.97 4.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 m -127.88 115.24 18.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.807 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -104.54 161.6 13.97 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.34 -0.85 . . . . 0.0 110.213 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 58' ' ' ASP . 29.1 mt -134.63 68.41 1.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -13.64 62.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.326 -0.859 . . . . 0.0 110.605 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 69' ' ' LEU . 52.5 mt -109.61 16.79 21.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.214 -0.929 . . . . 0.0 110.633 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.676 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 92.4 t80 -99.66 114.31 27.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.21 -0.931 . . . . 0.0 110.297 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.16 112.31 20.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.359 -0.838 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.81 -55.67 18.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.364 -0.835 . . . . 0.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 56.97 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.543 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HB3' HD11 ' A' ' 68' ' ' ILE . 1.1 mt-30 -176.81 -55.76 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.348 -0.845 . . . . 0.0 110.128 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 83.83 52.07 3.8 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.859 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pp -159.0 154.45 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.332 -1.099 . . . . 0.0 110.493 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 61' ' ' LEU . 6.4 mt -94.57 84.99 4.39 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.455 -0.778 . . . . 0.0 109.388 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' LEU . 4.1 t -34.79 -50.48 0.47 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.687 -0.633 . . . . 0.0 111.76 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.452 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 0.5 OUTLIER 55.86 173.86 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.224 -0.923 . . . . 0.0 110.367 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 71' ' ' TYR . 47.4 Cg_endo -74.75 157.88 43.51 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.717 1.377 . . . . 0.0 110.486 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 52.23 93.24 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.331 -0.856 . . . . 0.0 110.631 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.6 158.46 50.76 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 O-C-N 123.793 1.417 . . . . 0.0 110.364 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.8 pttt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.266 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.434 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.827 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.939 0 O4'-C1'-N19 110.398 3.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.827 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.79 1 O4'-C1'-N19 111.01 4.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.832 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.909 0 O4'-C1'-N19 110.577 3.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.832 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.801 1 O4'-C1'-N19 111.096 4.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.874 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.808 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.441 1.613 1 O4'-C1'-N19 111.362 4.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.865 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.875 1 O4'-C1'-N19 111.036 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.865 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.892 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.884 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.884 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.791 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.81 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.589 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.767 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.875 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.899 0 O4'-C1'-N19 110.657 3.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.875 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.714 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.535 H2'' ' C6 ' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 P--O5' 1.61 1.699 1 O4'-C1'-N19 111.114 4.143 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.686 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.78 1 O4'-C1'-N19 111.302 4.377 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.843 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.843 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.865 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.784 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.865 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.879 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.877 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C1'-N19 110.762 3.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.877 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.83 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.459 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.81 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.265 0.555 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.67 45.41 0.1 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.359 -0.838 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -91.05 -27.58 18.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.391 -0.818 . . . . 0.0 110.36 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 55.38 107.24 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.458 -0.776 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 36.0 m95 -79.58 135.09 36.51 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.374 -0.828 . . . . 0.0 109.972 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.43 160.86 19.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.389 -0.82 . . . . 0.0 110.199 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.26 179.68 0.93 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.224 -0.922 . . . . 0.0 110.225 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 15' ' ' TRP . 50.8 t -153.6 88.27 3.67 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.409 -0.807 . . . . 0.0 109.813 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.1 Cg_endo -73.2 -5.27 16.88 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.887 1.467 . . . . 0.0 111.67 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -57.61 -19.2 24.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.016 . . . . 0.0 111.167 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.604 HD21 HD11 ' A' ' 49' ' ' LEU . 1.2 mt -134.75 -61.93 0.75 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.066 -1.021 . . . . 0.0 110.462 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.09 -174.95 31.57 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -83.04 23.26 0.83 Allowed 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.685 1.361 . . . . 0.0 111.05 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . -113.33 -24.23 4.84 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.745 ' CH2' HD13 ' A' ' 49' ' ' LEU . 47.9 m95 -75.97 155.26 35.21 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.417 -1.049 . . . . 0.0 111.776 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 4.6 tptt -137.68 143.75 41.46 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ttp85 -120.68 135.27 55.17 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.1 -1.0 . . . . 0.0 110.987 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 5' ' ' TRP . 40.9 ttp85 -130.47 133.87 46.63 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.57 145.9 27.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.107 -0.996 . . . . 0.0 110.413 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 32' ' ' ASP . 13.7 t -130.69 106.06 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.497 -0.752 . . . . 0.0 110.08 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.6 t80 -83.58 50.19 1.74 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.132 -0.98 . . . . 0.0 110.372 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.625 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 48.66 -179.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 111.126 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 24' ' ' SER . 0.0 OUTLIER -143.35 -42.06 0.29 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.343 -0.848 . . . . 0.0 110.225 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 54.8 p 177.15 -163.43 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.29 -0.881 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.0 -91.5 1.31 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.62 -41.98 0.14 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.927 0.87 . . . . 0.0 108.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.545 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 40.9 p -76.4 -1.61 27.82 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.171 0.51 . . . . 0.0 109.967 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 41.7 t -43.97 139.22 2.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.457 -0.777 . . . . 0.0 111.835 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.41 -13.8 54.55 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.04 -1.076 . . . . 0.0 110.662 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 55.9 mtt180 -88.93 157.03 18.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.268 . . . . 0.0 110.454 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 p -112.16 129.13 56.34 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.401 -0.812 . . . . 0.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.486 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 1.5 m-20 -119.98 126.15 50.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.423 -0.798 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 35' ' ' TYR . 3.1 m -99.52 112.11 24.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -0.799 . . . . 0.0 110.335 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 87.9 m-85 -107.88 146.19 32.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.589 -0.694 . . . . 0.0 109.297 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -140.07 151.76 45.64 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.964 -1.085 . . . . 0.0 110.658 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.369 -0.832 . . . . 0.0 109.829 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.479 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -53.63 -176.39 0.03 OUTLIER Pre-proline 0 N--CA 1.496 1.875 0 O-C-N 121.731 -0.606 . . . . 0.0 110.478 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.0 Cg_endo -80.47 -24.38 5.34 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 123.499 1.263 . . . . 0.0 111.19 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.0 t -149.88 5.86 0.6 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.359 -1.336 . . . . 0.0 113.145 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.05 82.65 0.04 OUTLIER Glycine 0 N--CA 1.496 2.684 0 C-N-CA 118.42 -1.848 . . . . 0.0 112.073 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.37 127.55 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.411 -1.052 . . . . 0.0 110.275 178.039 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' O ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -81.92 119.78 24.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.436 -0.79 . . . . 0.0 109.881 179.772 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 48' ' ' GLU . 45.9 mm -122.3 154.3 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.829 . . . . 0.0 109.752 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 21.4 mtt180 -134.96 -15.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.098 -1.001 . . . . 0.0 111.589 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 1.05 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.9 OUTLIER -145.1 -161.77 1.36 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.936 -1.102 . . . . 0.0 110.941 -179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' N ' ' OG ' ' A' ' 45' ' ' SER . 11.1 ttpt -78.97 -40.9 30.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.564 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 9.9 t -60.84 -59.66 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.391 -0.818 . . . . 0.0 109.291 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.676 ' HB3' HG23 ' A' ' 43' ' ' ILE . 2.9 tp10 -48.59 -37.28 17.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.43 -0.794 . . . . 0.0 109.304 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.745 HD13 ' CH2' ' A' ' 15' ' ' TRP . 3.3 tp -71.08 -47.82 56.11 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 57' ' ' CYS . 23.3 m -56.05 -28.35 57.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 109.449 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.446 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.8 mtt180 -64.54 -55.74 18.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.407 -0.808 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 10.5 t80 -54.34 -25.15 22.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.387 -0.821 . . . . 0.0 109.771 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.845 ' CD1' HD11 ' A' ' 59' ' ' LEU . 16.1 mt -88.92 -18.31 27.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.517 -0.739 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.8 156.15 8.84 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.15 -11.54 31.88 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.827 1.435 . . . . 0.0 110.627 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.89 26.69 9.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 109.987 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.853 ' O ' HG23 ' A' ' 50' ' ' THR . 8.1 m -115.21 77.97 1.12 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.26 166.83 20.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.852 . . . . 0.0 110.11 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.845 HD11 ' CD1' ' A' ' 53' ' ' LEU . 58.0 mt -143.91 65.69 1.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.819 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -17.89 54.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.439 -0.788 . . . . 0.0 110.565 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.47 -34.08 17.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.639 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.695 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 36.3 t80 -63.68 119.34 9.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.207 -0.933 . . . . 0.0 110.143 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.36 143.1 32.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.405 -0.81 . . . . 0.0 110.214 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.429 ' CD1' ' OP2' ' C' ' 117' ' ' ' DC' . 57.6 t80 -82.93 -33.31 26.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.35 -0.843 . . . . 0.0 110.202 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -85.22 -30.75 23.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.27 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -95.91 -39.21 9.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.375 -0.828 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.94 44.49 36.81 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.822 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -144.5 160.1 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.386 -1.067 . . . . 0.0 110.196 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.466 HD13 ' HE1' ' A' ' 71' ' ' TYR . 3.9 mt -93.0 80.23 4.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.368 -0.832 . . . . 0.0 109.748 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.4 t -52.2 -22.12 4.03 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.358 -0.839 . . . . 0.0 110.777 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.466 ' HE1' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER 58.98 166.03 0.08 OUTLIER Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.207 -0.933 . . . . 0.0 110.315 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.461 ' HD2' ' CD2' ' A' ' 71' ' ' TYR . 44.8 Cg_endo -73.05 91.02 0.84 Allowed 'Trans proline' 0 C--N 1.309 -1.506 0 O-C-N 123.902 1.475 . . . . 0.0 110.382 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.75 75.86 30.31 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.31 -0.869 . . . . 0.0 110.197 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.72 111.79 3.33 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 O-C-N 123.697 1.367 . . . . 0.0 110.405 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.495 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.742 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.765 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.918 0 O4'-C1'-N19 110.272 3.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.765 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.568 0 O4'-C1'-N19 110.882 3.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.496 " C2'" ' C6 ' ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C1'-N19 110.607 3.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.587 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.527 1.948 1 O4'-C1'-N19 111.191 4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.879 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.782 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.717 1 O4'-C1'-N19 111.291 4.363 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.881 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.881 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.839 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.857 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.168 0 O4'-C1'-N19 110.772 3.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.857 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.779 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C1'-N19 110.964 3.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.538 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.896 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.846 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.99 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.846 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.71 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.636 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.044 1 O4'-C1'-N19 111.002 4.003 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 1.05 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C4'--C3' 1.511 -1.748 1 O4'-C1'-N19 111.149 4.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.804 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.804 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C1'-N19 110.839 3.798 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.895 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.887 0 O4'-C1'-N19 110.765 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.895 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.771 0 O4'-C1'-N19 110.783 3.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.884 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.083 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.884 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.972 1 O4'-C1'-N19 111.017 4.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.469 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.795 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 121.423 0.63 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.18 95.71 6.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.496 -0.753 . . . . 0.0 109.947 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.06 -71.25 0.08 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.557 -0.714 . . . . 0.0 110.999 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -168.21 122.48 0.93 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.237 -0.914 . . . . 0.0 110.559 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -114.04 117.46 31.35 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.422 -0.799 . . . . 0.0 110.03 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 mt -111.12 160.47 16.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.29 -0.881 . . . . 0.0 110.257 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.59 165.05 10.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.31 -0.869 . . . . 0.0 110.144 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -144.95 84.9 8.54 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.402 -0.811 . . . . 0.0 109.845 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.879 1.463 . . . . 0.0 111.436 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.792 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -54.9 -25.56 29.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 110.782 -179.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.779 HD21 ' HG ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -117.4 -69.53 0.85 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.372 -0.83 . . . . 0.0 110.514 -179.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.86 -170.93 36.39 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.18 110.95 3.16 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.881 1.464 . . . . 0.0 110.678 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.742 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 141.36 -39.72 1.4 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.705 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 83.1 m95 -60.58 149.62 34.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.509 -0.995 . . . . 0.0 111.193 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -136.6 153.34 50.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.433 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' NH2' ' CE2' ' A' ' 35' ' ' TYR . 44.7 ttm-85 -124.68 142.39 51.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.612 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -137.18 137.18 38.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.675 -0.641 . . . . 0.0 109.291 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -99.5 133.48 43.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 110.245 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 34' ' ' TYR . 11.2 t -118.18 103.01 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.4 -0.812 . . . . 0.0 110.215 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.77 49.0 1.68 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.388 -0.82 . . . . 0.0 109.918 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER 48.56 175.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 111.413 179.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HB2' " O3'" ' B' ' 105' ' ' ' DC' . 7.0 tppt? -139.38 -37.58 0.5 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.318 -0.864 . . . . 0.0 110.192 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.501 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.4 OUTLIER 169.92 -172.33 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.348 -0.845 . . . . 0.0 110.881 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -94.57 1.09 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.76 -44.39 0.16 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.674 -0.898 . . . . 0.0 108.9 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.607 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 63.2 p -75.06 -4.1 36.48 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.885 -0.509 . . . . 0.0 109.782 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 48.5 t -47.54 150.76 0.91 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.524 -0.735 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.56 -19.99 48.3 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.498 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 55.7 mtt-85 -83.86 160.44 21.15 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.052 -1.263 . . . . 0.0 110.481 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 35.9 p -122.96 95.64 4.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.437 -0.789 . . . . 0.0 110.214 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -99.93 129.44 46.01 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.389 -0.819 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.482 HG22 ' CE2' ' A' ' 35' ' ' TYR . 16.0 m -99.05 128.57 45.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.842 . . . . 0.0 110.225 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.55 ' CD1' HG21 ' A' ' 20' ' ' VAL . 30.2 m-85 -108.53 154.23 22.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.485 -0.759 . . . . 0.0 109.621 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.503 ' CE2' ' NH2' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -140.16 148.42 41.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.062 -1.024 . . . . 0.0 110.827 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.16 151.32 25.56 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.525 -0.734 . . . . 0.0 109.755 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.539 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 9.2 p -56.78 -174.48 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.446 -0.784 . . . . 0.0 110.226 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.742 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.7 Cg_endo -83.64 -12.06 8.95 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.429 1.226 . . . . 0.0 111.71 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -167.65 39.7 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 118.41 -1.316 . . . . 0.0 112.623 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 123.55 86.05 0.73 Allowed Glycine 0 N--CA 1.495 2.592 0 C-N-CA 119.394 -1.384 . . . . 0.0 111.717 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.539 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.3 OUTLIER 164.73 112.82 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.522 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -79.89 119.56 22.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.322 -0.861 . . . . 0.0 111.078 -178.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.587 HG23 ' HB3' ' A' ' 48' ' ' GLU . 1.2 mp -110.96 145.85 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 6.5 mtt180 -126.52 -2.08 6.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.149 -0.97 . . . . 0.0 111.013 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.4 OUTLIER -163.35 -162.19 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.009 -1.057 . . . . 0.0 110.564 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 11.7 ttpt -78.08 -47.27 18.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 109.928 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.535 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 6.9 t -52.91 -50.24 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.292 -0.88 . . . . 0.0 108.789 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.587 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.68 -36.61 57.43 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.207 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.962 HD23 HD13 ' A' ' 59' ' ' LEU . 4.1 tp -67.46 -41.94 83.86 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -64.47 -21.76 66.76 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.831 -0.543 . . . . 0.0 109.808 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -71.89 -57.13 4.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -0.844 . . . . 0.0 110.074 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.486 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 12.5 t80 -58.2 -33.56 69.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.337 -0.852 . . . . 0.0 110.031 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.907 ' CD1' HD11 ' A' ' 59' ' ' LEU . 13.9 mt -80.54 -15.94 55.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.447 -0.783 . . . . 0.0 110.506 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.87 156.67 17.92 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.77 -18.29 37.02 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 O-C-N 123.818 1.431 . . . . 0.0 110.44 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.32 24.6 6.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 0.0 109.994 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.8 m -131.44 92.5 3.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 110.163 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.68 166.07 21.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.32 -0.862 . . . . 0.0 110.324 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.962 HD13 HD23 ' A' ' 49' ' ' LEU . 96.0 mt -138.99 66.35 1.42 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 109.719 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.84 -1.09 33.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.437 -0.789 . . . . 0.0 110.874 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.832 HD22 ' HA ' ' A' ' 71' ' ' TYR . 75.9 mt -115.49 3.24 14.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.106 -0.996 . . . . 0.0 110.69 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.75 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 38.3 t80 -88.17 130.69 34.98 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 109.903 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -93.45 109.62 21.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.407 -0.808 . . . . 0.0 109.871 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -56.71 -29.33 62.35 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.409 -0.807 . . . . 0.0 110.864 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -86.86 -47.07 9.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 111.179 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 13.6 mp0 -75.87 -54.58 6.69 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.152 -0.967 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.792 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 99.56 51.77 1.28 Allowed Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.663 ' N ' ' HB2' ' A' ' 10' ' ' ALA . 5.6 pt -154.36 149.43 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -1.083 . . . . 0.0 110.169 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 10' ' ' ALA . 4.6 mt -98.07 78.93 2.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.9 -130.36 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.418 -0.801 . . . . 0.0 109.814 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.832 ' HA ' HD22 ' A' ' 61' ' ' LEU . 14.8 t80 -178.95 -57.59 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.004 -1.06 . . . . 0.0 110.424 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 71' ' ' TYR . 42.1 Cg_endo -65.8 170.22 11.78 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.398 1.21 . . . . 0.0 110.599 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.54 99.85 6.92 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.439 -0.788 . . . . 0.0 110.203 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.19 106.19 2.0 Allowed 'Trans proline' 0 C--N 1.31 -1.461 0 O-C-N 123.674 1.355 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.485 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.617 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.73 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.838 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.444 1.808 0 O4'-C1'-N19 110.572 3.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.838 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.755 1 O4'-C1'-N19 111.001 4.002 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.833 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C1'-N19 110.767 3.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.833 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.753 0 O4'-C1'-N19 110.954 3.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.812 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.65 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.825 1 O4'-C1'-N19 111.367 4.459 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.889 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.888 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.889 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.831 0 O4'-C1'-N19 110.679 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.902 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.873 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.902 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.822 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.482 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.781 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.464 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.746 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.847 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.054 0 O4'-C1'-N19 110.521 3.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.847 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C1'-N19 110.844 3.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.69 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.782 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.69 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.711 1 O4'-C1'-N19 111.074 4.092 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.864 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.864 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.871 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.848 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.76 0 O4'-C1'-N19 110.805 3.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.848 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.93 0 O4'-C1'-N19 110.722 3.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.845 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.988 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.845 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.445 1.891 1 O4'-C1'-N19 111.045 4.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.719 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.555 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 61.87 89.5 0.08 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.121 -0.987 . . . . 0.0 109.868 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -46.91 -75.55 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.692 -0.63 . . . . 0.0 110.651 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.26 89.36 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.331 -0.856 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -79.94 122.57 26.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.267 -0.896 . . . . 0.0 110.089 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 mt -110.49 160.18 16.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.417 -0.802 . . . . 0.0 110.278 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.35 -179.95 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.332 -0.855 . . . . 0.0 110.235 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 53.8 t -154.26 88.81 3.39 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.603 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.5 Cg_endo -71.38 -6.77 19.88 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.934 1.491 . . . . 0.0 111.412 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.766 ' HB2' ' CA ' ' A' ' 68' ' ' ILE . . . -57.28 -18.06 14.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.97 . . . . 0.0 110.816 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.9 HD22 ' CZ2' ' A' ' 15' ' ' TRP . 4.0 mp -128.52 -68.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.103 -0.998 . . . . 0.0 110.495 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.18 -156.79 17.5 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.99 142.7 31.67 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.86 1.453 . . . . 0.0 110.959 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.81 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 99.66 -32.78 6.83 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.9 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 61.6 m95 -65.07 140.38 58.82 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.37 -1.077 . . . . 0.0 111.45 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -133.72 141.88 47.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.685 -0.634 . . . . 0.0 109.395 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -127.54 142.76 51.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.166 -0.959 . . . . 0.0 110.747 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 5.1 tpt180 -141.16 150.18 42.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.414 -0.804 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.32 155.8 17.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 0.0 109.824 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.6 t -139.35 96.67 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.902 . . . . 0.0 109.856 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ARG . 27.7 t80 -79.74 48.74 0.97 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.174 -0.954 . . . . 0.0 110.719 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.631 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 49.61 176.86 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.297 -0.877 . . . . 0.0 110.89 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HB2' " O3'" ' B' ' 105' ' ' ' DC' . 1.2 tppt? -144.17 -31.92 0.44 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.132 -0.98 . . . . 0.0 110.687 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.51 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 0.1 OUTLIER 171.09 -179.31 0.05 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.081 -1.012 . . . . 0.0 111.302 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.99 -95.26 0.94 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.66 -43.08 0.21 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.695 -0.886 . . . . 0.0 108.641 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.543 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 44.4 p -74.41 -2.37 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.872 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.631 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.6 p -43.67 136.66 3.32 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.477 -0.765 . . . . 0.0 111.599 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.21 -16.63 32.33 Favored Glycine 0 N--CA 1.494 2.542 0 C-N-CA 120.103 -1.046 . . . . 0.0 110.575 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 26.7 mtt180 -84.08 164.05 19.47 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.109 -1.23 . . . . 0.0 110.467 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 1.3 t -126.58 107.68 10.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -108.85 127.37 53.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 110.091 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.53 HG22 ' CE2' ' A' ' 35' ' ' TYR . 46.9 m -98.87 123.2 42.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.416 -0.802 . . . . 0.0 109.942 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CD1' HG21 ' A' ' 20' ' ' VAL . 72.0 m-85 -109.47 154.43 22.66 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.464 -0.772 . . . . 0.0 109.898 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.53 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -140.21 151.34 45.11 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.355 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -112.11 147.69 35.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.377 -0.827 . . . . 0.0 109.348 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 41' ' ' ASP . 32.4 p -53.97 179.57 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.324 -0.86 . . . . 0.0 109.987 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 49.2 Cg_endo -85.74 -1.08 8.84 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 123.421 1.222 . . . . 0.0 111.805 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.04 15.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 118.288 -1.365 . . . . 0.0 112.948 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 140.54 82.52 0.08 OUTLIER Glycine 0 N--CA 1.496 2.667 0 C-N-CA 118.828 -1.653 . . . . 0.0 112.069 178.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 169.32 113.64 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.663 -0.904 . . . . 0.0 109.087 178.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.4 mmm-85 -79.7 116.42 19.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.276 -0.89 . . . . 0.0 111.034 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.808 HG21 HD12 ' A' ' 49' ' ' LEU . 48.3 mm -105.53 151.52 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.63 -0.669 . . . . 0.0 109.267 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.542 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -126.97 -24.25 3.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 111.112 -179.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.443 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 1.4 m -142.09 -160.26 1.07 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.982 . . . . 0.0 110.603 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 11.9 ttpt -80.15 -46.54 16.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.216 -0.927 . . . . 0.0 110.043 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.513 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 29.2 t -55.18 -53.38 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.948 . . . . 0.0 109.266 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.795 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.27 -37.97 38.73 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.771 0.796 . . . . 0.0 108.877 178.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.895 HD21 HD21 ' A' ' 11' ' ' LEU . 1.4 tp -69.22 -47.56 64.43 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.0 m -61.19 -17.29 52.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.744 -0.597 . . . . 0.0 110.282 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 3.3 mtm180 -79.06 -61.3 2.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.264 -0.897 . . . . 0.0 110.491 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 2.8 t80 -57.55 -20.63 33.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.369 -0.832 . . . . 0.0 110.695 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.615 HD11 HD23 ' A' ' 11' ' ' LEU . 42.6 mt -93.08 -3.47 54.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.225 -0.922 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.61 157.9 33.69 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.49 -22.81 24.25 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 O-C-N 123.831 1.437 . . . . 0.0 110.506 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.32 -10.51 59.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.304 -0.872 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.32 82.82 1.79 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 110.441 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.56 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.3 m-20 -71.85 159.83 33.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.325 -0.859 . . . . 0.0 110.014 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.88 HD13 HD23 ' A' ' 49' ' ' LEU . 89.7 mt -138.36 67.04 1.42 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.895 . . . . 0.0 110.048 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.86 1.68 38.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.375 -0.828 . . . . 0.0 110.575 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -112.38 -24.44 9.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.154 -0.966 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.737 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 51.4 t80 -55.41 144.53 25.18 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.363 -0.836 . . . . 0.0 110.355 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' ' 66' ' ' GLN . 7.6 t70 -110.25 119.77 40.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.507 -0.746 . . . . 0.0 109.902 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HE2' ' HG ' ' A' ' 45' ' ' SER . 33.0 t80 -67.4 -32.66 73.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.611 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.66 22.06 3.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.428 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 52.0 mt-30 -151.06 -41.03 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.106 -0.997 . . . . 0.0 110.394 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 83.03 53.35 3.51 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.766 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 1.8 pp -156.06 159.42 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.519 -0.989 . . . . 0.0 110.351 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.591 ' O ' ' C ' ' A' ' 70' ' ' CYS . 5.2 mt -98.53 79.26 2.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.464 -0.772 . . . . 0.0 110.009 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.591 ' C ' ' O ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -8.23 -70.23 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.443 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 35.1 p90 -162.73 117.82 1.19 Allowed Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.169 -0.957 . . . . 0.0 110.47 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.46 -19.24 19.47 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.62 1.326 . . . . 0.0 110.296 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.85 ' HB3' ' HD3' ' A' ' 74' ' ' PRO . . . -172.24 -59.86 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.351 -0.843 . . . . 0.0 110.343 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.85 ' HD3' ' HB3' ' A' ' 73' ' ' ALA . 46.1 Cg_endo -71.99 131.46 18.21 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 123.382 1.201 . . . . 0.0 110.396 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.267 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.451 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.817 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.821 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.998 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.821 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.704 0 O4'-C1'-N19 110.941 3.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.838 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C1'-N19 110.613 3.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.838 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.723 1 O4'-C1'-N19 111.12 4.15 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.819 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.802 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.82 1 O4'-C1'-N19 111.269 4.336 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.912 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.965 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.912 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.928 0 O4'-C1'-N19 110.787 3.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.868 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.735 3.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.868 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.786 1 O4'-C1'-N19 111.033 4.041 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.456 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.713 0 O4'-C1'-N19 110.998 3.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.438 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.638 0 O4'-C1'-N19 110.836 3.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.852 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.959 0 O4'-C1'-N19 110.746 3.682 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.852 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.795 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.53 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.722 0 O4'-C1'-N19 110.694 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.577 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 P--O5' 1.61 1.694 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.886 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.886 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.828 1 O4'-C1'-N19 111.019 4.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.86 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.814 0 O4'-C1'-N19 110.741 3.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.86 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.876 0 O4'-C1'-N19 110.765 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.837 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C1'-N19 110.748 3.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.837 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.773 0 O4'-C1'-N19 110.772 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.458 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.798 0 O4'-C1'-N19 110.948 3.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.204 0.526 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.5 -44.34 58.01 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.383 -0.823 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 77.2 mm-40 -107.59 -12.59 15.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.378 -0.826 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 0.9 OUTLIER 58.62 121.6 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.518 -0.739 . . . . 0.0 110.899 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -80.89 131.73 35.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.32 -0.863 . . . . 0.0 110.058 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -105.99 160.37 15.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.399 -0.813 . . . . 0.0 110.097 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -58.6 170.73 0.72 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.201 -0.937 . . . . 0.0 110.108 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 44.0 t -153.56 88.93 3.59 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.2 -0.937 . . . . 0.0 110.127 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.4 Cg_endo -73.55 -5.27 16.82 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 O-C-N 123.973 1.512 . . . . 0.0 111.44 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.766 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -58.89 -16.51 17.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.917 . . . . 0.0 111.116 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.861 HD11 HD21 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -129.69 -64.71 0.87 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.001 -1.062 . . . . 0.0 110.613 -179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.34 -163.74 29.81 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.64 146.39 43.48 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.97 1.511 . . . . 0.0 110.556 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.706 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 96.52 -32.9 6.06 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.779 ' CE3' HD13 ' A' ' 11' ' ' LEU . 39.3 m95 -60.88 143.83 54.09 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.424 -1.045 . . . . 0.0 111.41 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -137.42 149.57 47.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.614 -0.679 . . . . 0.0 109.801 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp85 -130.88 150.3 52.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.207 -0.933 . . . . 0.0 110.266 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 136.35 34.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.48 -0.762 . . . . 0.0 109.852 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.56 135.48 40.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 109.85 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 34' ' ' TYR . 21.1 t -120.58 100.78 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 0.0 110.441 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -85.07 45.97 1.23 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.223 -0.923 . . . . 0.0 110.047 179.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.623 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 50.12 171.62 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.504 -0.748 . . . . 0.0 111.22 179.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HB2' " O3'" ' B' ' 105' ' ' ' DC' . 1.1 tppt? -140.26 -32.95 0.58 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 110.672 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.51 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 1.8 p 171.69 -173.56 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.12 -0.987 . . . . 0.0 111.254 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.76 -94.92 1.13 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.92 -41.5 0.21 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.691 -0.888 . . . . 0.0 108.732 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.567 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 41.1 p -76.37 -1.6 27.67 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.856 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.623 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 26.8 p -44.53 134.75 5.13 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.461 -0.775 . . . . 0.0 111.583 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.4 33.05 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.064 -1.065 . . . . 0.0 110.579 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.473 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 66.5 mtt85 -85.85 173.71 9.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.984 -1.304 . . . . 0.0 110.282 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 4.1 p -135.04 99.65 4.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.404 -0.81 . . . . 0.0 110.447 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 79.3 m-20 -99.96 126.37 46.11 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.376 -0.827 . . . . 0.0 110.137 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.642 HG22 ' CE2' ' A' ' 35' ' ' TYR . 40.2 m -99.24 125.24 44.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.501 -0.749 . . . . 0.0 110.13 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CD1' HG21 ' A' ' 20' ' ' VAL . 57.2 m-85 -109.38 155.94 20.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.526 -0.734 . . . . 0.0 109.928 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -140.28 153.11 46.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 110.508 -179.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -121.76 143.64 49.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.446 -0.784 . . . . 0.0 109.12 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.538 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 43.4 m -52.89 175.36 0.11 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.299 -0.876 . . . . 0.0 109.931 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.706 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.7 Cg_endo -83.53 1.05 9.17 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.389 1.205 . . . . 0.0 112.408 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.437 HG22 ' OH ' ' A' ' 52' ' ' TYR . 8.9 t -164.75 23.66 0.06 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 117.839 -1.544 . . . . 0.0 113.096 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 129.84 86.09 0.43 Allowed Glycine 0 N--CA 1.495 2.624 0 C-N-CA 119.036 -1.554 . . . . 0.0 111.937 177.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.481 ' HB3' ' OG ' ' A' ' 37' ' ' SER . 0.3 OUTLIER 168.96 116.52 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.743 -0.857 . . . . 0.0 109.069 178.272 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.72 138.07 37.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.344 -0.847 . . . . 0.0 110.78 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.845 HG23 ' HB3' ' A' ' 48' ' ' GLU . 28.9 mt -138.28 152.53 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.587 -0.696 . . . . 0.0 109.187 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' CB ' H5A3 ' C' ' 118' ' ' 5CM . 16.2 mtt180 -133.46 -1.57 3.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.621 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.448 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 1.3 m -161.18 -165.61 1.38 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.694 -1.254 . . . . 0.0 111.519 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.507 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -70.47 -49.31 49.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.717 -0.615 . . . . 0.0 110.081 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.594 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 2.3 t -53.53 -56.99 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.965 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.845 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -49.52 -40.3 37.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.348 -0.845 . . . . 0.0 109.285 179.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.974 HD23 HD13 ' A' ' 59' ' ' LEU . 1.8 tp -63.79 -39.32 93.96 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 47' ' ' VAL . 90.8 m -69.4 -13.91 62.62 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.877 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 7.5 mmt180 -77.47 -59.27 2.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.185 -0.947 . . . . 0.0 109.996 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE2' ' HB3' ' A' ' 37' ' ' SER . 12.6 t80 -56.89 -37.14 70.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.34 -0.85 . . . . 0.0 110.082 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.965 ' CD1' HD11 ' A' ' 59' ' ' LEU . 17.9 mt -75.47 -6.28 49.35 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.485 -0.759 . . . . 0.0 110.594 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.11 152.67 24.81 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.28 -26.88 20.33 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 O-C-N 123.77 1.405 . . . . 0.0 110.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.09 -17.81 48.74 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.25 -0.906 . . . . 0.0 110.247 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.54 137.82 32.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.266 -0.896 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -116.49 172.97 6.87 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.974 HD13 HD23 ' A' ' 49' ' ' LEU . 82.5 mt -141.34 52.66 1.55 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.486 -0.758 . . . . 0.0 110.007 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -15.62 58.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.332 -0.855 . . . . 0.0 110.697 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.719 HD13 ' O ' ' A' ' 71' ' ' TYR . 9.7 mt -102.09 13.21 35.36 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.152 -0.968 . . . . 0.0 110.66 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.743 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 42.4 t80 -107.35 113.78 27.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.121 -0.987 . . . . 0.0 110.292 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 66' ' ' GLN . 1.3 m-20 -82.21 116.23 21.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.525 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -50.04 -58.1 6.22 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.361 -0.837 . . . . 0.0 110.858 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -59.11 -55.22 37.84 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.207 -0.933 . . . . 0.0 110.722 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 1.6 mm100 -59.28 -56.51 21.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.206 -0.934 . . . . 0.0 110.603 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.1 40.93 6.4 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.766 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pp -149.03 171.11 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.53 -0.983 . . . . 0.0 110.236 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 61' ' ' LEU . 5.3 mt -104.36 82.85 1.98 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.492 -0.755 . . . . 0.0 109.776 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.5 p -43.41 -30.03 0.5 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.63 -0.669 . . . . 0.0 111.12 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.719 ' O ' HD13 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -148.53 107.87 3.56 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.855 . . . . 0.0 110.039 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.82 -34.28 9.02 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.69 1.363 . . . . 0.0 110.439 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.26 158.63 86.18 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.34 -0.85 . . . . 0.0 110.105 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.82 128.73 13.58 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 O-C-N 123.796 1.419 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.414 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.48 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.84 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C1'-N19 110.428 3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.84 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.652 0 O4'-C1'-N19 110.825 3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.846 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.883 0 O4'-C1'-N19 110.512 3.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.846 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.78 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.862 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.82 " H1'" " O4'" ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.442 1.707 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.862 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.833 1 O4'-C1'-N19 111.051 4.064 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.862 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.869 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.863 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.987 0 O4'-C1'-N19 110.654 3.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.863 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.798 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.49 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.823 0 O4'-C1'-N19 110.959 3.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.481 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.718 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.856 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.927 0 O4'-C1'-N19 110.522 3.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.856 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.767 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.547 ' C4 ' ' N4 ' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.839 0 O4'-C1'-N19 110.369 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.777 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.795 1 O4'-C1'-N19 111.69 4.863 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.854 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.854 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.868 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.866 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.825 0 O4'-C1'-N19 110.764 3.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.866 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.443 1.773 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.863 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.114 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.863 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.851 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.461 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.828 0 O4'-C1'-N19 110.896 3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 121.151 0.5 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.604 ' HB3' ' HD2' ' A' ' 18' ' ' ARG . . . -60.64 -79.38 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.31 -0.869 . . . . 0.0 110.034 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -115.13 -28.55 6.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.306 -0.871 . . . . 0.0 109.692 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 p30 172.6 81.44 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.686 -0.633 . . . . 0.0 110.293 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.465 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 7.4 m95 -82.44 101.85 10.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.178 -0.951 . . . . 0.0 109.91 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.0 mt -99.62 160.29 14.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -0.818 . . . . 0.0 109.85 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.33 177.69 0.25 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.131 -0.98 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.42 87.62 4.84 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 109.82 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.659 ' HG2' HG22 ' A' ' 68' ' ' ILE . 40.8 Cg_endo -72.56 -6.87 19.87 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 O-C-N 123.921 1.485 . . . . 0.0 111.323 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.824 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -56.95 -19.49 18.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.173 -0.954 . . . . 0.0 110.919 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' CD2' HD11 ' A' ' 53' ' ' LEU . 1.3 mp -129.09 -66.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.167 -0.958 . . . . 0.0 110.799 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.97 -169.59 36.36 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.17 109.94 3.02 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.886 1.466 . . . . 0.0 110.767 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.795 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 144.57 -39.59 1.21 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.725 ' CH2' HD12 ' A' ' 49' ' ' LEU . 67.7 m95 -65.18 136.62 56.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.503 -0.998 . . . . 0.0 111.066 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -122.74 146.88 47.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.57 -0.707 . . . . 0.0 109.547 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -119.24 146.35 45.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.406 -0.809 . . . . 0.0 110.349 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.604 ' HD2' ' HB3' ' A' ' 2' ' ' ALA . 1.3 ttp-105 -139.96 135.23 32.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.503 -0.748 . . . . 0.0 109.687 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -99.58 125.71 45.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.311 -0.868 . . . . 0.0 110.249 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 34' ' ' TYR . 18.1 t -110.06 99.57 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.423 -0.798 . . . . 0.0 110.023 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -83.63 45.38 1.05 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.277 -0.889 . . . . 0.0 110.594 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.57 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 50.38 172.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -138.63 -33.02 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.129 -0.982 . . . . 0.0 110.683 179.729 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.7 p 164.83 -169.85 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.392 -0.817 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.88 -93.24 0.96 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HB3' ' OP1' ' B' ' 107' ' ' ' DG' . . . -150.21 12.94 0.76 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.782 -0.834 . . . . 0.0 109.789 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.481 HG22 ' NH2' ' A' ' 30' ' ' ARG . 18.0 p -139.23 11.82 2.58 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.53 -0.731 . . . . 0.0 109.594 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.57 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 3.6 t -51.34 130.07 26.23 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.45 -0.781 . . . . 0.0 111.284 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.43 -16.61 16.99 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.816 -1.183 . . . . 0.0 111.02 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.567 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 87.1 mtt180 -82.38 158.35 23.37 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.875 -1.368 . . . . 0.0 110.168 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 25.5 p -124.71 104.07 8.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.476 -0.765 . . . . 0.0 110.731 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.424 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 6.7 m-20 -103.98 126.58 51.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.86 . . . . 0.0 109.76 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.651 HG22 ' CE2' ' A' ' 35' ' ' TYR . 60.4 m -98.71 121.6 40.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 110.215 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CD1' HG21 ' A' ' 20' ' ' VAL . 65.7 m-85 -105.81 156.68 18.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.507 -0.745 . . . . 0.0 109.734 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.651 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -140.49 143.66 35.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.158 -0.964 . . . . 0.0 110.741 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 38.8 tt0 -107.22 149.09 28.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.476 -0.765 . . . . 0.0 109.171 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.551 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -51.49 -178.96 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.501 -0.749 . . . . 0.0 110.901 -179.585 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.795 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.2 Cg_endo -83.52 -9.72 10.06 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 O-C-N 123.739 1.389 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 t -166.68 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.665 -1.214 . . . . 0.0 112.497 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.52 84.56 0.1 Allowed Glycine 0 N--CA 1.497 2.741 0 C-N-CA 119.014 -1.565 . . . . 0.0 112.048 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.551 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 0.2 OUTLIER 172.8 121.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.523 -0.987 . . . . 0.0 109.105 178.086 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.769 ' O ' HD12 ' A' ' 43' ' ' ILE . 4.4 mmt180 -79.79 128.11 33.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.264 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 42' ' ' ARG . 1.2 mp -129.27 147.66 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -134.28 7.15 3.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.949 . . . . 0.0 110.994 -179.453 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 1.081 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -169.94 -171.99 1.27 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.018 -1.051 . . . . 0.0 110.553 -179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' CB ' ' OP1' ' C' ' 117' ' ' ' DC' . 17.9 ttpt -73.84 -42.29 61.06 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.339 -0.851 . . . . 0.0 108.746 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 37.9 t -59.55 -54.12 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -51.76 -38.9 57.36 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.302 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.725 HD12 ' CH2' ' A' ' 15' ' ' TRP . 12.1 tp -66.31 -47.47 73.47 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 m -61.97 -17.48 57.14 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.795 -0.566 . . . . 0.0 110.077 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt180 -75.81 -60.15 2.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 41' ' ' ASP . 4.4 t80 -60.42 -19.88 57.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.055 -1.028 . . . . 0.0 110.073 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 ' CD2' ' A' ' 11' ' ' LEU . 26.4 mt -96.09 -15.37 22.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.874 . . . . 0.0 110.288 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.28 155.32 23.49 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.98 -31.01 15.77 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 O-C-N 123.781 1.411 . . . . 0.0 110.119 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.48 62.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 109.865 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.92 54.45 2.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.473 -0.767 . . . . 0.0 110.093 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.7 p-10 -51.94 171.18 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -0.851 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.648 ' CD1' HD23 ' A' ' 49' ' ' LEU . 97.3 mt -145.2 63.75 1.28 Allowed 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.567 -0.708 . . . . 0.0 109.814 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -13.35 61.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.525 -0.735 . . . . 0.0 110.834 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.52 -28.85 13.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.184 -0.947 . . . . 0.0 110.444 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.647 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 33.5 t80 -58.38 111.27 1.17 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.266 -0.896 . . . . 0.0 110.198 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.22 132.14 35.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.415 ' CD2' ' OP2' ' C' ' 117' ' ' ' DC' . 46.6 t80 -68.28 -28.57 67.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.377 -0.827 . . . . 0.0 110.474 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -90.17 -31.68 16.95 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -96.01 -42.58 8.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.139 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.824 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 65.1 67.11 2.15 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.659 HG22 ' HG2' ' A' ' 9' ' ' PRO . 4.4 pt -156.13 24.33 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.387 -1.067 . . . . 0.0 110.767 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 10' ' ' ALA . 2.7 mt 51.83 31.64 8.55 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.185 -0.947 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 t 63.65 -67.63 0.1 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.738 -0.601 . . . . 0.0 110.632 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' LEU . 2.1 t80 54.15 57.98 12.54 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.225 -0.922 . . . . 0.0 110.151 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.18 -44.97 0.71 Allowed 'Trans proline' 0 C--N 1.309 -1.528 0 O-C-N 123.866 1.456 . . . . 0.0 110.532 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.51 133.55 20.13 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.39 -0.819 . . . . 0.0 110.105 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.42 135.52 22.44 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.58 1.305 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.2 tttt . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.253 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.469 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.712 0 O4'-C1'-N19 110.854 3.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.847 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.949 0 O4'-C1'-N19 110.466 3.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.847 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.77 0 O4'-C1'-N19 110.92 3.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.851 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.89 0 O4'-C1'-N19 110.662 3.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.851 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.701 1 O4'-C1'-N19 111.097 4.121 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.869 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.71 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.7 1 O4'-C1'-N19 111.255 4.318 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.891 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.891 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.872 0 O4'-C1'-N19 110.749 3.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.889 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.072 0 O4'-C1'-N19 110.792 3.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.889 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.938 1 O4'-C1'-N19 111.03 4.037 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.415 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.779 0 O4'-C1'-N19 110.918 3.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.483 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.776 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.856 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.935 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.856 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.64 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.595 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.949 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 1.081 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.526 1.829 1 O4'-C1'-N19 111.225 4.281 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.876 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.876 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.884 0 O4'-C1'-N19 110.981 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.899 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.611 1.81 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.899 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.82 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.864 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.889 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.864 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C1'-N19 110.904 3.88 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.467 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.524 1.683 0 O4'-C1'-N19 110.988 3.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.9 0 CA-C-O 121.373 0.606 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' A' ' 5' ' ' TRP . . . 53.25 27.34 5.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.289 -0.882 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 54.66 22.49 4.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.34 -0.85 . . . . 0.0 110.773 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t70 62.44 96.67 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.207 -0.933 . . . . 0.0 110.697 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.536 ' CD1' ' HB1' ' A' ' 2' ' ' ALA . 26.5 m95 -81.52 164.62 21.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.273 -0.892 . . . . 0.0 110.216 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt -132.93 160.72 36.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.413 -0.804 . . . . 0.0 110.181 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -64.35 174.17 1.76 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.299 -0.876 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.3 t -150.2 87.11 5.03 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.399 -0.813 . . . . 0.0 109.852 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.0 Cg_endo -72.66 -6.32 18.81 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 123.893 1.47 . . . . 0.0 111.456 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.874 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -62.61 -13.25 29.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.122 -0.986 . . . . 0.0 110.977 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.653 HD13 ' CD2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -131.19 -66.38 0.74 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.994 -1.067 . . . . 0.0 110.731 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.5 -166.51 35.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.49 105.94 2.15 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.799 1.421 . . . . 0.0 110.825 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.835 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 145.81 -36.57 1.32 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.653 ' CD2' HD13 ' A' ' 11' ' ' LEU . 66.0 m95 -68.9 144.19 54.28 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.52 -0.988 . . . . 0.0 111.084 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 6.2 mptt -133.08 149.49 52.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.586 -0.696 . . . . 0.0 109.409 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HD3' ' HA3' ' A' ' 67' ' ' GLY . 29.0 ttp85 -131.97 138.65 48.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.847 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 4.9 tpt180 -137.21 140.32 41.65 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.49 144.8 28.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.5 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 34' ' ' TYR . 15.2 t -126.37 102.65 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.529 -0.732 . . . . 0.0 109.915 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -81.83 52.52 1.95 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.147 -0.971 . . . . 0.0 110.329 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.594 ' NE ' ' OP2' ' B' ' 106' ' ' 5CM . 0.3 OUTLIER 47.43 -179.14 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.782 0.801 . . . . 0.0 111.38 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 24' ' ' SER . 1.8 tmmt? -136.96 -40.14 0.6 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.536 -0.728 . . . . 0.0 109.679 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 165.28 -178.95 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.498 -0.751 . . . . 0.0 110.647 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 111.76 -95.33 0.8 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.62 -43.6 0.4 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.692 -0.887 . . . . 0.0 108.911 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.662 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 74.4 p -77.52 -0.76 27.41 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.933 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 47.0 t -44.51 141.24 2.03 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.43 -0.794 . . . . 0.0 111.515 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.99 -15.25 59.54 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.537 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.2 mpt_? -83.32 136.83 34.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.246 -1.149 . . . . 0.0 109.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 p -99.95 103.01 14.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.351 -0.843 . . . . 0.0 110.544 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.448 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.3 m-20 -99.67 120.51 39.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.639 HG22 ' CE2' ' A' ' 35' ' ' TYR . 91.4 m -98.86 125.94 44.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CD1' HG21 ' A' ' 20' ' ' VAL . 52.6 m-85 -107.21 157.0 18.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.567 -0.708 . . . . 0.0 109.626 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.639 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.6 OUTLIER -139.16 160.43 39.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.151 -0.968 . . . . 0.0 110.622 -179.105 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -124.5 144.99 49.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.483 -0.76 . . . . 0.0 109.868 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 41' ' ' ASP . 4.8 p -51.89 178.24 0.05 OUTLIER Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.586 -0.697 . . . . 0.0 110.187 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.835 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 48.0 Cg_endo -83.93 -0.92 9.8 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.217 1.114 . . . . 0.0 111.493 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -167.22 19.24 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 118.296 -1.362 . . . . 0.0 113.195 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 140.56 86.43 0.11 Allowed Glycine 0 N--CA 1.5 2.905 0 C-N-CA 118.817 -1.659 . . . . 0.0 112.115 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.589 ' N ' ' OG ' ' A' ' 37' ' ' SER . 0.2 OUTLIER 169.66 135.99 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.636 -0.92 . . . . 0.0 109.458 178.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -95.08 110.89 22.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.328 -0.858 . . . . 0.0 110.556 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.426 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 1.3 mp -101.7 139.41 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.348 -0.845 . . . . 0.0 109.323 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.633 ' HB3' H5A3 ' C' ' 118' ' ' 5CM . 57.7 mtt180 -120.4 -0.72 10.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 110.697 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.539 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 0.5 OUTLIER -168.65 -156.92 0.18 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.11 -0.994 . . . . 0.0 110.369 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.794 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.2 ttpt -80.09 -44.07 20.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.24 -0.912 . . . . 0.0 110.195 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.568 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 25.5 t -61.3 -44.2 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.327 -0.858 . . . . 0.0 110.096 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -56.53 -45.81 80.93 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.264 -0.898 . . . . 0.0 110.277 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.046 HD21 HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -75.86 -38.78 57.61 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.384 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.528 ' N ' HD23 ' A' ' 49' ' ' LEU . 53.5 m -59.31 -51.11 71.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.449 -0.782 . . . . 0.0 110.111 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.248 -0.907 . . . . 0.0 110.527 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CE1' ' CG ' ' A' ' 41' ' ' ASP . 5.7 t80 -65.07 -24.65 67.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.8 -1.187 . . . . 0.0 109.614 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.499 ' CD1' HD11 ' A' ' 59' ' ' LEU . 18.4 mt -93.69 4.03 54.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.421 -0.799 . . . . 0.0 110.253 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.22 153.96 9.66 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.15 -28.38 23.43 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.813 1.428 . . . . 0.0 109.942 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.53 15.95 27.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.476 -0.765 . . . . 0.0 109.952 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 t -101.55 49.3 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.314 -0.866 . . . . 0.0 110.092 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' HD23 ' A' ' 59' ' ' LEU . 1.6 m-20 -57.38 168.57 0.75 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.327 -0.858 . . . . 0.0 110.272 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.046 HD12 HD21 ' A' ' 49' ' ' LEU . 92.3 mt -140.48 64.99 1.42 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.452 -0.78 . . . . 0.0 109.904 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -27.94 66.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.413 -0.805 . . . . 0.0 110.219 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.27 -31.0 43.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.174 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.607 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 18.7 t80 -65.15 116.94 7.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.237 -0.914 . . . . 0.0 109.864 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 66' ' ' GLN . 0.9 OUTLIER -86.23 129.16 34.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.368 -0.833 . . . . 0.0 109.62 179.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -59.54 -61.72 2.41 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.276 -0.89 . . . . 0.0 110.329 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.26 -57.24 13.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.234 -0.916 . . . . 0.0 110.797 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' HB3' ' CG1' ' A' ' 68' ' ' ILE . 14.2 mt-30 -61.99 -49.49 75.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 110.553 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 76.94 48.49 8.46 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.156 -1.578 . . . . 0.0 109.156 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.874 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -154.17 157.46 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.51 -0.994 . . . . 0.0 110.236 -179.651 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 69' ' ' LEU . 6.8 mt -93.27 83.18 4.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.381 -0.825 . . . . 0.0 109.608 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 47.7 m -44.41 -63.92 0.79 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.581 -0.699 . . . . 0.0 110.972 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.6 t80 51.62 70.08 2.15 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.298 -0.876 . . . . 0.0 110.401 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.64 -48.93 0.28 Allowed 'Trans proline' 0 C--N 1.309 -1.553 0 O-C-N 123.787 1.414 . . . . 0.0 110.475 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.94 134.86 55.93 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.356 -0.84 . . . . 0.0 110.115 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -74.69 -41.82 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.658 1.346 . . . . 0.0 110.347 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.212 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.457 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.852 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.842 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.852 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.688 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.853 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.995 0 O4'-C1'-N19 110.583 3.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.853 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.75 0 O4'-C1'-N19 110.984 3.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.879 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.794 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.703 1 O4'-C1'-N19 111.219 4.274 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.857 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.864 0 O4'-C1'-N19 110.885 3.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.857 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.836 0 O4'-C1'-N19 110.62 3.525 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.868 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.037 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.868 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.878 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.449 ' C6 ' H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.82 0 O4'-C1'-N19 110.907 3.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.432 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.724 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.841 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C1'-N19 110.433 3.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.841 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.716 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.669 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.864 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.669 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.763 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.861 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.861 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.844 0 O4'-C1'-N19 110.963 3.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.883 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.742 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.883 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.873 0 O4'-C1'-N19 110.769 3.711 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.868 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.88 0 O4'-C1'-N19 110.876 3.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.868 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.896 1 O4'-C1'-N19 111.056 4.071 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.473 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.737 0 O4'-C1'-N19 110.902 3.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttm . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.199 0.523 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . 52.38 32.97 12.0 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.292 -0.88 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.96 -80.68 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.584 -0.698 . . . . 0.0 110.314 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 2' ' ' ALA . 9.9 t70 -174.04 83.38 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.288 -0.883 . . . . 0.0 110.315 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 16' ' ' LYS . 3.3 m95 -87.38 121.34 29.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.085 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -118.1 160.5 21.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.443 -0.786 . . . . 0.0 110.23 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -71.54 153.3 42.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.291 -0.881 . . . . 0.0 110.674 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -131.35 80.64 67.33 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.596 -0.69 . . . . 0.0 109.303 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.99 -5.62 17.39 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 O-C-N 123.986 1.519 . . . . 0.0 112.049 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -53.52 -47.16 70.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.961 -1.087 . . . . 0.0 110.585 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD11 HD21 ' A' ' 49' ' ' LEU . 1.6 mp -94.05 -66.24 0.93 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.808 . . . . 0.0 110.521 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.02 -171.5 37.77 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.9 105.63 2.11 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.947 1.499 . . . . 0.0 110.793 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.784 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.28 -28.74 0.71 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.54 ' CE2' ' HD3' ' A' ' 38' ' ' PRO . 71.4 m95 -75.31 154.93 37.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.437 -1.037 . . . . 0.0 111.936 -178.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -140.3 154.14 46.7 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.229 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 8.8 ttp180 -123.54 140.79 52.64 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.014 -1.054 . . . . 0.0 110.82 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 5' ' ' TRP . 16.7 ttp180 -140.62 135.31 31.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.66 -0.65 . . . . 0.0 109.445 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.46 139.98 34.31 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 109.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.578 HG21 ' CD1' ' A' ' 34' ' ' TYR . 6.8 t -125.82 101.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.496 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 0.6 OUTLIER -85.74 48.53 1.61 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 179.452 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.587 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER 49.64 178.33 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.45 -0.781 . . . . 0.0 110.966 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' SER . 16.9 ttpt -138.78 -35.58 0.57 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 110.108 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 2.5 t 161.37 -171.52 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.644 -0.66 . . . . 0.0 110.116 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.502 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 107.3 -61.96 0.31 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -178.89 -39.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.568 -0.96 . . . . 0.0 108.565 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.662 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 22.1 p -82.72 3.31 29.7 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.171 0.51 . . . . 0.0 109.67 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 8.2 t -45.32 136.1 5.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.725 . . . . 0.0 111.773 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.85 -19.1 28.48 Favored Glycine 0 N--CA 1.495 2.583 0 C-N-CA 120.046 -1.074 . . . . 0.0 110.967 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.525 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 11.4 mtp180 -78.68 146.19 34.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.94 -1.33 . . . . 0.0 110.448 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 90.1 p -118.46 98.3 6.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.421 -0.799 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -105.25 135.53 46.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 110.149 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.412 HG21 ' OH ' ' A' ' 35' ' ' TYR . 1.9 m -99.47 127.51 45.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.361 -0.837 . . . . 0.0 110.026 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.578 ' CD1' HG21 ' A' ' 20' ' ' VAL . 28.2 m-85 -109.79 136.39 49.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.531 -0.731 . . . . 0.0 109.489 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 30.5 m-85 -121.79 145.11 48.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.237 -0.914 . . . . 0.0 110.667 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 15' ' ' TRP . 24.8 tt0 -99.91 141.83 32.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 108.799 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.514 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 5.1 p -55.19 -174.66 0.03 OUTLIER Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.488 -0.757 . . . . 0.0 110.185 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.784 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.3 Cg_endo -81.36 -14.9 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.409 1.215 . . . . 0.0 110.993 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 t -166.42 44.19 0.06 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.493 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 121.62 92.66 1.21 Allowed Glycine 0 N--CA 1.497 2.753 0 C-N-CA 119.583 -1.294 . . . . 0.0 112.104 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER 154.79 131.55 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -100.26 129.36 46.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.35 -0.844 . . . . 0.0 110.786 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 48' ' ' GLU . 1.2 mp -111.61 155.48 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.505 -0.747 . . . . 0.0 109.444 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' CB ' H5A3 ' C' ' 118' ' ' 5CM . 68.2 mtt180 -143.21 11.36 1.74 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.373 -0.829 . . . . 0.0 110.52 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 1.011 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -172.35 -168.5 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.033 -1.042 . . . . 0.0 110.541 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -75.65 -46.84 29.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.482 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 55.5 t -56.91 -49.24 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.569 -0.707 . . . . 0.0 109.3 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -51.32 -52.57 44.11 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.624 -0.672 . . . . 0.0 109.938 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.797 HD23 ' CD1' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -59.86 -42.97 94.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 108.955 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.9 m -61.66 -18.04 57.91 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.706 -0.622 . . . . 0.0 110.24 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.491 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.5 mtt-85 -78.02 -61.63 1.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CE2' ' HD2' ' A' ' 38' ' ' PRO . 11.4 t80 -54.26 -24.69 19.72 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.25 -0.906 . . . . 0.0 110.148 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.955 ' CD1' HD11 ' A' ' 59' ' ' LEU . 30.1 mt -86.46 -19.53 29.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.407 -0.808 . . . . 0.0 110.238 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.46 156.49 13.86 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.4 -19.94 32.42 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 O-C-N 123.843 1.443 . . . . 0.0 110.402 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.23 26.67 5.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 0.0 110.008 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.82 79.03 1.77 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.348 -0.845 . . . . 0.0 110.249 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.788 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -77.03 165.7 24.28 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -0.834 . . . . 0.0 110.117 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.955 HD11 ' CD1' ' A' ' 53' ' ' LEU . 39.7 mt -138.12 59.87 1.64 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.848 . . . . 0.0 110.041 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -19.18 36.35 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.676 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 ' HD1' ' A' ' 71' ' ' TYR . 12.2 mt -97.08 7.62 46.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.181 -0.949 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.457 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 66.1 t80 -102.25 119.08 38.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.054 -1.029 . . . . 0.0 110.23 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.13 133.56 36.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.399 -0.813 . . . . 0.0 110.115 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 45' ' ' SER . 5.1 t80 -65.65 -28.94 69.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.424 -0.798 . . . . 0.0 110.293 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 -54.92 3.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.326 -0.859 . . . . 0.0 110.589 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.67 -53.35 59.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.266 -0.896 . . . . 0.0 110.462 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.413 ' HA2' ' CZ ' ' A' ' 62' ' ' PHE . . . 88.78 25.16 30.57 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.917 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.3 pp -134.45 155.1 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.367 -1.078 . . . . 0.0 110.247 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 10' ' ' ALA . 8.3 mt -94.64 81.98 3.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.35 79.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.537 -0.727 . . . . 0.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.532 ' HD1' HD13 ' A' ' 61' ' ' LEU . 57.7 t80 -100.72 142.93 25.57 Favored Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.448 -0.782 . . . . 0.0 109.99 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 71' ' ' TYR . 45.1 Cg_endo -71.59 91.01 0.7 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.613 1.323 . . . . 0.0 110.392 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.828 ' HB3' ' HD3' ' A' ' 74' ' ' PRO . . . -70.6 -55.19 7.55 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 121.406 -0.809 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.828 ' HD3' ' HB3' ' A' ' 73' ' ' ALA . 47.4 Cg_endo -73.81 -49.56 0.2 Allowed 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.553 1.291 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tptt . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.21 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.48 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.524 1.638 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.859 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C1'-N19 110.593 3.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.859 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.687 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.442 " C2'" ' C6 ' ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.614 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 P--O5' 1.61 1.738 0 O4'-C1'-N19 110.998 3.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.895 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.821 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.442 1.688 1 O4'-C1'-N19 111.169 4.211 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.884 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.012 1 O4'-C1'-N19 111.082 4.102 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.884 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.812 0 O4'-C1'-N19 110.805 3.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.868 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.943 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.868 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.78 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.478 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.683 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.46 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.754 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.808 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.036 0 O4'-C1'-N19 110.482 3.352 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.808 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.659 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.632 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.78 1 O4'-C1'-N19 111.192 4.24 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 1.011 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.525 1.812 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.834 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.834 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C1'-N19 110.842 3.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.864 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.741 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.864 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.853 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.892 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.892 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.85 1 O4'-C1'-N19 111.121 4.152 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.476 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.726 0 O4'-C1'-N19 110.989 3.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.284 0.564 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.07 89.15 3.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.384 -0.823 . . . . 0.0 109.989 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 3.4 mp0 -52.39 -89.7 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.372 -0.83 . . . . 0.0 110.366 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 3' ' ' GLU . 15.0 t0 176.91 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.251 -0.906 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.462 ' CE3' ' HB2' ' A' ' 18' ' ' ARG . 43.8 m95 -79.36 115.61 19.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 110.066 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -102.35 160.68 14.33 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.43 -0.794 . . . . 0.0 110.124 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.98 -173.95 0.42 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.334 -0.854 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -153.91 90.73 3.28 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.462 -0.774 . . . . 0.0 109.809 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' HG22 ' A' ' 68' ' ' ILE . 43.5 Cg_endo -75.51 0.9 8.58 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.835 1.439 . . . . 0.0 111.666 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.802 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . . . -74.78 -3.85 34.15 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.005 -1.06 . . . . 0.0 111.26 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.581 ' CD2' HD11 ' A' ' 49' ' ' LEU . 4.3 mt -137.16 -61.53 0.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.956 -1.09 . . . . 0.0 110.553 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.21 -177.1 47.84 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.84 96.45 0.85 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.919 1.484 . . . . 0.0 110.48 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.83 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 161.76 -30.51 0.31 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.695 ' CH2' HD13 ' A' ' 49' ' ' LEU . 63.3 m95 -75.63 151.13 37.83 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.457 -1.025 . . . . 0.0 111.87 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 2.0 mmmm -137.03 129.92 30.61 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 20.1 ttp85 -109.14 138.35 45.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.222 -0.924 . . . . 0.0 110.926 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.1 tpt180 -140.32 137.55 34.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.675 -0.641 . . . . 0.0 109.435 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.59 133.0 44.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.229 -0.919 . . . . 0.0 110.25 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 31' ' ' SER . 15.6 t -111.35 104.71 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.562 -0.711 . . . . 0.0 109.974 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' O ' ' A' ' 22' ' ' ARG . 1.9 t80 -84.68 45.86 1.19 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.11 -0.994 . . . . 0.0 110.516 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.632 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 49.9 173.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.431 -0.793 . . . . 0.0 110.905 179.772 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER -142.18 -34.31 0.46 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.037 -1.04 . . . . 0.0 110.827 179.752 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.553 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 14.5 t 172.73 -169.71 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.234 -0.916 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.464 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 102.39 -74.11 0.32 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.05 -39.18 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.458 HG21 " H2'" ' B' ' 107' ' ' ' DG' . 22.1 p -80.24 0.27 33.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.582 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.632 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 13.3 t -44.32 132.67 5.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.556 -0.715 . . . . 0.0 111.563 -179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.75 -14.82 26.82 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.924 -1.131 . . . . 0.0 110.841 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 2.8 mtt-85 -83.08 175.39 10.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.956 -1.32 . . . . 0.0 110.43 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 94.6 p -137.37 95.65 3.12 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.625 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 44.9 m-20 -100.99 124.8 47.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.462 -0.774 . . . . 0.0 109.94 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.59 HG22 ' CE2' ' A' ' 35' ' ' TYR . 81.2 m -98.37 128.81 44.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.325 -0.859 . . . . 0.0 110.237 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 44.0 m-85 -111.11 158.35 18.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.507 -0.746 . . . . 0.0 109.822 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CE2' HG22 ' A' ' 33' ' ' THR . 1.2 m-85 -140.18 140.05 35.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 110.729 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CE3' ' A' ' 15' ' ' TRP . 5.3 tp60 -99.35 143.13 29.95 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.495 ' OG ' ' CD2' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -52.1 -176.43 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.483 -0.761 . . . . 0.0 111.199 -179.12 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.83 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 50.5 Cg_endo -81.68 -18.79 7.81 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.578 1.304 . . . . 0.0 110.494 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -156.04 9.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 118.581 -1.248 . . . . 0.0 112.646 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.3 83.94 0.04 OUTLIER Glycine 0 N--CA 1.495 2.611 0 C-N-CA 118.697 -1.716 . . . . 0.0 112.021 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' OD2' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 174.14 116.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.482 -1.011 . . . . 0.0 109.47 177.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -79.75 118.78 21.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.327 -0.858 . . . . 0.0 110.918 -179.282 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 42' ' ' ARG . 1.3 mp -119.49 149.19 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.496 -0.753 . . . . 0.0 109.314 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.451 ' HB2' ' C5A' ' C' ' 118' ' ' 5CM . 0.7 OUTLIER -129.38 0.28 5.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 0.0 110.611 -179.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 1.082 ' OG ' " H3'" ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -158.76 -170.5 3.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.027 -1.046 . . . . 0.0 110.74 -179.508 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' N ' ' OG ' ' A' ' 45' ' ' SER . 4.5 ttpt -77.51 -39.05 47.56 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.522 -0.736 . . . . 0.0 109.04 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.515 HG23 H5'' ' C' ' 117' ' ' ' DC' . 53.3 t -63.76 -48.62 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -0.774 . . . . 0.0 109.216 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.524 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -54.34 -39.98 67.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.409 -0.807 . . . . 0.0 109.132 179.168 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.695 HD13 ' CH2' ' A' ' 15' ' ' TRP . 15.5 tp -68.35 -44.95 74.15 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.3 m -59.88 -23.21 63.26 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.663 -0.648 . . . . 0.0 109.764 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -71.65 -58.59 3.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.354 -0.841 . . . . 0.0 110.527 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.495 ' CD2' ' OG ' ' A' ' 37' ' ' SER . 2.8 t80 -57.01 -21.59 31.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 0.0 110.396 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.642 HD11 HD11 ' A' ' 49' ' ' LEU . 39.3 mt -92.07 -13.12 31.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.279 -0.888 . . . . 0.0 110.782 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.31 152.87 8.73 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.0 -20.3 38.59 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 O-C-N 123.707 1.372 . . . . 0.0 110.453 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.47 8.93 37.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.361 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.1 m -104.05 61.84 0.74 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.324 -0.86 . . . . 0.0 110.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 168.04 4.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.209 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 53' ' ' LEU . 95.1 mt -141.79 63.49 1.42 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.469 -0.769 . . . . 0.0 110.036 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -18.18 63.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 0.0 110.403 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.87 -27.04 21.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.225 -0.922 . . . . 0.0 110.361 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.422 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 20.0 t80 -67.34 122.01 16.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -85.68 137.83 32.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.368 -0.832 . . . . 0.0 109.84 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -76.76 -67.02 0.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.303 -0.873 . . . . 0.0 110.433 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -58.51 -21.96 53.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.322 -0.861 . . . . 0.0 110.75 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.535 ' OE1' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -100.61 -51.59 3.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.124 -0.985 . . . . 0.0 110.432 -179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 79.78 62.9 2.07 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.802 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.2 pt -160.32 144.71 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.329 -1.101 . . . . 0.0 110.242 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 69' ' ' LEU . 10.8 mt -98.45 87.92 3.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.44 -0.788 . . . . 0.0 109.784 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -45.94 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.498 -0.751 . . . . 0.0 110.561 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 2.6 t80 56.7 106.52 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.354 -0.842 . . . . 0.0 110.648 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 71' ' ' TYR . 44.2 Cg_endo -70.72 121.48 7.96 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.505 1.266 . . . . 0.0 110.298 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.833 ' HB3' ' HD3' ' A' ' 74' ' ' PRO . . . -69.5 -54.99 10.06 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.405 -0.809 . . . . 0.0 110.586 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.833 ' HD3' ' HB3' ' A' ' 73' ' ' ALA . 46.4 Cg_endo -72.99 75.52 2.72 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.465 1.245 . . . . 0.0 110.593 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.515 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.56 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C1'-N19 110.723 3.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.631 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.443 1.78 0 O4'-C1'-N19 110.382 3.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.631 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.815 0 O4'-C1'-N19 110.894 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.495 " C2'" ' C6 ' ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.893 0 O4'-C1'-N19 110.623 3.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.595 H2'' " O5'" ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.857 1 O4'-C1'-N19 111.186 4.233 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.818 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.751 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.875 1 O4'-C1'-N19 111.229 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.856 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.865 1 O4'-C1'-N19 111.096 4.12 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.856 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.821 0 O4'-C1'-N19 110.65 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.848 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.063 0 O4'-C1'-N19 110.787 3.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.848 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.777 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.481 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C1'-N19 110.882 3.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.475 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.739 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.475 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.795 0 O4'-C1'-N19 110.527 3.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.456 ' C2 ' ' C2 ' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.13 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.594 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.054 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 1.082 " H3'" ' OG ' ' A' ' 45' ' ' SER . . . . . . . . 0 C5'--C4' 1.526 1.935 1 O4'-C1'-N19 111.133 4.166 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.863 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.863 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.851 1 O4'-C1'-N19 111.014 4.018 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.879 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.687 0 O4'-C1'-N19 110.83 3.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.879 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.822 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.766 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.766 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.444 1.853 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.458 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 P--O5' 1.61 1.665 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.216 0.531 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.528 ' HB2' H5'' ' B' ' 104' ' ' ' DT' . . . -114.49 -78.49 0.58 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.304 -0.873 . . . . 0.0 110.229 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -151.59 27.26 0.65 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.404 -0.81 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 t0 60.2 112.21 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.478 -0.764 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CZ2' ' HD3' ' A' ' 18' ' ' ARG . 61.3 m95 -79.75 136.26 36.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.362 -0.836 . . . . 0.0 110.047 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -116.63 160.27 20.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.357 -0.839 . . . . 0.0 110.107 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.23 167.2 0.69 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 110.166 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -147.97 85.85 6.34 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.361 -0.837 . . . . 0.0 110.417 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.1 Cg_endo -73.13 -6.99 19.91 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 O-C-N 123.84 1.442 . . . . 0.0 111.124 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.804 ' HB1' ' HD1' ' A' ' 62' ' ' PHE . . . -61.87 -12.66 18.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.295 -0.878 . . . . 0.0 110.97 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -128.42 -68.38 0.76 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.071 -1.018 . . . . 0.0 110.457 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.1 -169.72 39.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.8 95.34 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.856 1.451 . . . . 0.0 110.94 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.786 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 154.19 -29.82 0.72 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.906 ' CZ2' HD22 ' A' ' 11' ' ' LEU . 77.8 m95 -73.4 154.26 40.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.629 -0.924 . . . . 0.0 111.773 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -137.25 160.01 40.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 35' ' ' TYR . 56.3 ttp180 -129.2 141.39 51.16 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.149 -0.969 . . . . 0.0 110.934 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HD3' ' CZ2' ' A' ' 5' ' ' TRP . 2.4 ttp-105 -138.34 134.44 34.23 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.48 135.99 40.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -0.915 . . . . 0.0 110.522 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 34' ' ' TYR . 25.4 t -122.08 95.72 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.512 -0.743 . . . . 0.0 109.788 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.525 ' O ' ' O ' ' A' ' 22' ' ' ARG . 4.3 t80 -83.92 44.62 1.01 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.13 -0.981 . . . . 0.0 110.78 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.629 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER 50.92 162.82 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.471 -0.768 . . . . 0.0 111.386 179.544 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.8 OUTLIER -129.85 -31.54 1.95 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.142 -0.974 . . . . 0.0 110.642 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.509 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 164.99 -167.92 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.358 -0.839 . . . . 0.0 110.906 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.79 -68.34 0.33 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' N ' ' OP2' ' B' ' 107' ' ' ' DG' . . . -174.32 -40.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.636 -0.92 . . . . 0.0 108.631 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.649 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 25.2 p -78.42 1.09 23.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.211 0.529 . . . . 0.0 109.769 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.6 p -41.83 135.13 2.4 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.641 -0.662 . . . . 0.0 112.023 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.12 -16.35 35.81 Favored Glycine 0 N--CA 1.495 2.572 0 C-N-CA 120.023 -1.084 . . . . 0.0 110.907 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 61.4 mtt180 -82.21 153.93 25.69 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.954 -1.321 . . . . 0.0 110.184 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 80.2 p -121.57 101.18 7.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.429 -0.795 . . . . 0.0 110.516 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 1.2 m-20 -101.06 125.08 47.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.443 -0.785 . . . . 0.0 109.938 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.662 HG22 ' CE2' ' A' ' 35' ' ' TYR . 88.7 m -99.41 120.79 40.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.253 -0.904 . . . . 0.0 109.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD2' ' HB3' ' A' ' 44' ' ' ARG . 65.9 m-85 -104.87 142.88 33.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.996 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.662 ' CE2' HG22 ' A' ' 33' ' ' THR . 1.5 m-85 -126.72 146.9 50.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.312 -0.867 . . . . 0.0 110.291 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -102.5 146.61 27.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 0.0 108.965 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.513 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 3.4 p -56.54 -173.15 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.462 -0.774 . . . . 0.0 110.048 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.786 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 47.0 Cg_endo -82.19 -10.37 11.3 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 O-C-N 123.272 1.143 . . . . 0.0 111.268 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.4 t -168.06 20.18 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 0.0 112.959 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 144.78 86.61 0.08 OUTLIER Glycine 0 N--CA 1.497 2.719 0 C-N-CA 118.821 -1.657 . . . . 0.0 112.153 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.0 OUTLIER 163.54 113.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.779 -0.836 . . . . 0.0 109.044 178.197 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 145.81 30.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.371 -0.831 . . . . 0.0 110.951 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.966 HG21 HD12 ' A' ' 49' ' ' LEU . 3.0 mt -140.56 153.47 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.597 -0.69 . . . . 0.0 109.508 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.561 ' HG3' ' C5A' ' C' ' 118' ' ' 5CM . 0.0 OUTLIER -131.34 0.47 4.09 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.156 -0.965 . . . . 0.0 111.512 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.459 ' CB ' " H3'" ' C' ' 117' ' ' ' DC' . 49.4 m -158.98 -167.41 2.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.765 -1.209 . . . . 0.0 110.985 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.482 ' HB3' ' OP1' ' C' ' 117' ' ' ' DC' . 0.0 OUTLIER -75.2 -51.37 13.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.481 -0.762 . . . . 0.0 110.096 -179.498 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.608 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 3.3 t -52.09 -48.23 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.305 -0.872 . . . . 0.0 109.242 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.874 ' HB3' HG23 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -51.09 -43.68 61.11 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.654 0.74 . . . . 0.0 109.222 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.966 HD12 HG21 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -64.73 -40.21 94.95 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -67.06 -16.22 64.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.677 -0.639 . . . . 0.0 110.308 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 2.5 mtp180 -80.02 -62.54 1.65 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.22 -0.925 . . . . 0.0 110.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 2.9 t80 -58.03 -21.81 46.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.39 -0.819 . . . . 0.0 110.223 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 59' ' ' LEU . 67.8 mt -92.56 -17.92 23.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 110.275 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.3 153.33 13.81 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.39 -29.15 17.17 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 O-C-N 123.807 1.425 . . . . 0.0 110.205 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.48 -18.3 52.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.369 -0.832 . . . . 0.0 110.112 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.4 m -91.39 86.81 6.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.86 . . . . 0.0 110.186 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.59 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.24 174.02 10.04 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 110.228 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.744 HD13 HD23 ' A' ' 49' ' ' LEU . 88.9 mt -139.89 52.68 1.69 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.4 -0.812 . . . . 0.0 109.779 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -23.35 27.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.812 . . . . 0.0 110.585 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CB ' HD23 ' A' ' 69' ' ' LEU . 6.9 mt -85.64 -37.35 19.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.272 -0.892 . . . . 0.0 110.355 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.804 ' HD1' ' HB1' ' A' ' 10' ' ' ALA . 71.2 t80 -55.33 127.31 28.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.27 -0.894 . . . . 0.0 109.757 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -102.87 9.58 38.81 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.253 -0.905 . . . . 0.0 111.757 -179.046 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 24.1 t80 54.51 -85.86 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.155 -0.966 . . . . 0.0 110.853 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -48.59 -31.11 6.12 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.208 -0.933 . . . . 0.0 110.979 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.543 ' OE1' HD11 ' A' ' 68' ' ' ILE . 45.9 mt-30 -84.87 -28.93 25.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 0.0 109.991 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.578 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 63.45 39.48 97.75 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.74 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -155.16 160.6 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.591 -0.946 . . . . 0.0 110.149 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 61' ' ' LEU . 5.6 mt -94.79 74.61 3.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.526 -0.734 . . . . 0.0 110.136 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.583 ' HB2' HD12 ' A' ' 68' ' ' ILE . 2.0 t -79.74 -134.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.414 -0.804 . . . . 0.0 109.954 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.46 76.29 7.65 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.059 -1.026 . . . . 0.0 110.137 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -73.11 88.37 0.96 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.707 1.372 . . . . 0.0 110.26 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -164.92 109.42 0.82 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.41 -0.806 . . . . 0.0 110.112 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.42 -45.76 0.56 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.673 1.354 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.213 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.483 H2'' ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.747 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.852 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.113 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.852 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.712 0 O4'-C1'-N19 110.904 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.857 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.843 0 O4'-C1'-N19 110.528 3.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.857 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.837 1 O4'-C1'-N19 111.045 4.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.875 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.8 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.718 1 O4'-C1'-N19 111.24 4.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.873 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.852 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.853 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.899 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.013 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.899 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C1'-N19 110.979 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.751 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.483 H2'' " O5'" ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.736 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.874 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.444 1.855 0 O4'-C1'-N19 110.874 3.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.874 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.89 0 O4'-C1'-N19 110.955 3.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.663 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.801 0 O4'-C1'-N19 110.616 3.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.82 H2'' " O5'" ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.743 1 O4'-C1'-N19 111.092 4.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.82 " O5'" H2'' ' C' ' 117' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.769 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 O4'--C1' 1.444 1.849 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.885 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.755 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.885 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.444 1.812 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.88 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.898 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.88 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.828 1 O4'-C1'-N19 111.061 4.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.458 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.803 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.229 0.538 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.71 23.62 3.8 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.288 -0.882 . . . . 0.0 110.363 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 11.0 mm-40 53.52 16.99 1.03 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.331 -0.856 . . . . 0.0 111.019 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 4.6 t70 53.95 95.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.081 -1.012 . . . . 0.0 110.777 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -79.14 155.98 28.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.278 -0.889 . . . . 0.0 110.167 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.09 160.49 27.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.815 . . . . 0.0 110.239 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.78 176.74 0.49 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.307 -0.871 . . . . 0.0 110.232 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 15' ' ' TRP . 42.8 t -155.97 93.36 2.54 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.372 -0.83 . . . . 0.0 109.935 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HG2' HG22 ' A' ' 68' ' ' ILE . 42.9 Cg_endo -77.92 6.72 4.38 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.84 1.442 . . . . 0.0 111.675 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB2' ' C ' ' A' ' 67' ' ' GLY . . . -67.66 -9.52 44.06 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.012 -1.055 . . . . 0.0 111.107 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.071 HD11 HD21 ' A' ' 49' ' ' LEU . 1.2 mt -135.79 -61.89 0.7 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.951 -1.093 . . . . 0.0 110.469 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.08 -165.2 31.52 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.32 128.42 12.84 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 O-C-N 123.857 1.451 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.732 ' C ' ' HA ' ' A' ' 38' ' ' PRO . . . 117.28 -39.47 2.64 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.779 ' CD2' HD13 ' A' ' 11' ' ' LEU . 61.8 m95 -57.41 140.22 50.97 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.47 -1.018 . . . . 0.0 111.227 -178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -134.57 152.38 51.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.601 -0.687 . . . . 0.0 109.676 179.416 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -140.14 140.11 35.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.157 -0.964 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 4' ' ' ASP . 10.4 tpt180 -140.49 146.34 38.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.581 -0.699 . . . . 0.0 109.469 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.68 127.74 45.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.274 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' SER . 12.2 t -105.47 104.55 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.438 -0.789 . . . . 0.0 109.822 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.47 ' O ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -83.26 45.75 1.06 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 110.558 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HB3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER 50.63 171.03 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.332 -0.855 . . . . 0.0 111.143 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HB2' " O3'" ' B' ' 105' ' ' ' DC' . 0.4 OUTLIER -135.01 -36.36 0.82 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 110.562 179.639 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.509 ' O ' " H3'" ' B' ' 106' ' ' 5CM . 13.0 t 172.76 -171.42 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.295 -0.878 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.469 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . 103.25 -94.57 1.13 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.16 -44.62 0.2 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.612 HG21 ' H8 ' ' B' ' 107' ' ' ' DG' . 41.2 p -72.32 -5.14 34.11 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.837 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . 27.7 p -41.88 137.65 1.71 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.582 -0.699 . . . . 0.0 111.696 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.26 -15.59 39.13 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.684 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 69.1 mtt180 -83.48 165.99 18.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.021 -1.282 . . . . 0.0 110.367 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 7.4 p -129.79 96.23 4.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.401 -0.812 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -99.77 126.09 45.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.813 . . . . 0.0 110.024 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.573 HG22 ' CE2' ' A' ' 35' ' ' TYR . 95.2 m -98.31 124.55 43.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 0.0 109.858 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 49.6 m-85 -108.72 152.75 24.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.541 -0.724 . . . . 0.0 109.886 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.573 ' CE2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -139.95 144.04 36.86 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.173 -0.955 . . . . 0.0 110.4 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 37' ' ' SER . 1.8 tt0 -108.1 150.05 27.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.775 . . . . 0.0 109.515 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 41' ' ' ASP . 20.0 p -54.47 -177.8 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.513 -0.742 . . . . 0.0 110.225 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.732 ' HA ' ' C ' ' A' ' 14' ' ' GLY . 52.0 Cg_endo -84.58 -2.79 9.91 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.453 1.238 . . . . 0.0 112.194 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -166.76 19.64 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.092 -1.443 . . . . 0.0 113.274 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . . . 139.53 82.16 0.08 OUTLIER Glycine 0 N--CA 1.497 2.715 0 C-N-CA 118.792 -1.671 . . . . 0.0 112.124 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.507 ' HB3' ' HB3' ' A' ' 37' ' ' SER . 0.1 OUTLIER 170.11 108.62 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.596 -0.943 . . . . 0.0 109.061 178.086 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.33 128.9 33.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.486 -0.759 . . . . 0.0 110.858 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.052 HG21 HD12 ' A' ' 49' ' ' LEU . 17.4 mt -128.97 150.47 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.607 -0.683 . . . . 0.0 109.381 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HB2' ' C5A' ' C' ' 118' ' ' 5CM . 36.7 mtt85 -126.94 -6.9 6.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.235 -0.916 . . . . 0.0 111.177 -178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.472 ' HB3' " H3'" ' C' ' 117' ' ' ' DC' . 2.5 m -151.22 -164.37 1.99 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.962 -1.086 . . . . 0.0 110.237 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -80.08 -46.72 16.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.145 -0.972 . . . . 0.0 110.142 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.627 ' HB ' " O3'" ' C' ' 117' ' ' ' DC' . 11.2 t -54.28 -48.53 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 108.703 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.89 ' HB3' HG23 ' A' ' 43' ' ' ILE . 3.4 mm-40 -53.28 -36.36 61.08 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.071 HD21 HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.31 -51.13 48.16 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.133 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 98.0 m -56.64 -21.21 25.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.907 -0.496 . . . . 0.0 110.198 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 48' ' ' GLU . 1.2 mmm180 -74.1 -58.55 3.22 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.219 -0.925 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 3.7 t80 -68.09 -10.81 56.83 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.227 -0.92 . . . . 0.0 110.532 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 59' ' ' LEU . 41.5 mt -103.15 -21.12 13.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.155 -0.966 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.8 151.05 8.39 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -21.34 35.33 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 O-C-N 123.711 1.374 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.32 -9.27 33.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 0.0 110.26 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.3 t -84.42 64.36 8.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.205 -0.935 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.689 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -59.16 154.63 15.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.263 -0.898 . . . . 0.0 110.213 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 58' ' ' ASP . 74.2 mt -140.15 57.27 1.6 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.359 -0.838 . . . . 0.0 110.067 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -15.79 62.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.351 -0.843 . . . . 0.0 110.23 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.753 HD22 ' HA ' ' A' ' 71' ' ' TYR . 2.6 mt -88.43 -26.68 22.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.305 -0.872 . . . . 0.0 110.161 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.545 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 31.1 t80 -64.94 115.43 5.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.251 -0.905 . . . . 0.0 109.714 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' GLY . 1.0 OUTLIER -79.91 120.92 24.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.349 -0.844 . . . . 0.0 110.207 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CD2' ' OH ' ' A' ' 35' ' ' TYR . 16.4 t80 -62.97 -23.02 67.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -90.67 -31.02 16.78 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.167 -0.958 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.466 ' HB3' HD11 ' A' ' 68' ' ' ILE . 49.8 mt-30 -109.21 -47.55 3.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.094 -1.004 . . . . 0.0 110.13 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.822 ' C ' ' HB2' ' A' ' 10' ' ' ALA . . . 70.73 71.92 0.96 Allowed Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.528 ' N ' ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -151.67 12.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.317 -1.108 . . . . 0.0 111.486 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 10' ' ' ALA . 6.8 mt 48.45 55.52 8.82 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.025 -1.047 . . . . 0.0 110.171 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.3 t -42.8 -44.66 4.53 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.665 -0.647 . . . . 0.0 111.245 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.753 ' HA ' HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER 51.84 74.69 0.75 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.291 -0.88 . . . . 0.0 110.595 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.69 -179.93 4.63 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.819 1.431 . . . . 0.0 110.363 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.37 95.27 47.16 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.308 -0.87 . . . . 0.0 110.225 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.66 69.28 3.59 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.643 1.338 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tttp . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.184 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.533 H2'' " O5'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.853 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.825 H2'' " O5'" ' B' ' 103' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C1'-N19 110.431 3.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.825 " O5'" H2'' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 P--O5' 1.609 1.611 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.859 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.874 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.859 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.703 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' 5CM . . . . . 0.848 H5A1 ' OP2' ' B' ' 106' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.73 " O5'" H2'' ' B' ' 106' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.525 1.777 1 O4'-C1'-N19 111.256 4.321 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' DG' . . . . . 0.851 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.894 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.851 " O5'" H2'' ' B' ' 108' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.445 1.904 0 O4'-C1'-N19 110.772 3.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ' DT' . . . . . 0.848 H2'' " O5'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.931 0 O4'-C1'-N19 110.705 3.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.848 " O5'" H2'' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.757 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ' DC' . . . . . 0.462 ' C5 ' " H2'" ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.782 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.468 H2'' ' C6 ' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' ' DT' . . . . . 0.828 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C1'-N19 110.385 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.828 " O5'" H2'' ' C' ' 114' ' ' ' DT' . . . . . . . . 0 P--O5' 1.61 1.73 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.721 H2'' " O5'" ' C' ' 117' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.762 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' ' DC' . . . . . 0.721 " O5'" H2'' ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.706 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' 5CM . . . . . 0.823 H2'' " O5'" ' C' ' 119' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' ' DG' . . . . . 0.823 " O5'" H2'' ' C' ' 118' ' ' 5CM . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.879 H2'' " O5'" ' C' ' 121' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.752 0 O4'-C1'-N19 110.987 3.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' ' DA' . . . . . 0.879 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C1'-N19 110.896 3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.873 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.913 0 O4'-C1'-N19 110.802 3.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.873 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 P--O5' 1.611 1.772 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.412 ' C5 ' " H2'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.706 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_