data_1biv_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 1biv _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 ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 CA-C-O 117.552 -1.693 . . . . 0.0 112.82 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . 0.374 46.3 Cg_endo -94.05 -20.67 0.36 Allowed 'Trans proline' 0 CA--C 1.582 2.897 0 C-N-CA 123.697 2.931 . . . . 0.0 112.183 174.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -98.14 -160.09 0.04 OUTLIER Pre-proline 0 CA--C 1.59 2.514 1 C-N-CA 133.709 4.804 . . . . 0.0 108.033 146.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -64.94 -149.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.584 2.99 0 C-N-CA 124.529 3.486 . . . . 0.0 114.96 163.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -82.28 143.04 31.59 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 126.256 1.822 . . . . 0.0 108.825 155.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.73 -41.07 11.3 Favored Glycine 0 C--N 1.346 1.103 0 C-N-CA 129.194 3.283 . . . . 0.0 113.398 169.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.426 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.308 0.1 OUTLIER -161.18 167.61 25.79 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 118.252 2.686 . . . . 0.0 118.252 -164.757 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.424 ' HB2' ' HB2' ' B' ' 77' ' ' ARG 0.325 58.3 mtt180 -101.32 42.61 1.11 Allowed 'General case' 0 C--N 1.373 1.602 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 166.347 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.1 11.91 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 120.356 2.903 . . . . 0.0 120.356 156.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.55 63.4 1.63 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 129.12 2.968 . . . . 0.0 105.067 167.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 -11.65 0.24 Allowed Glycine 0 C--N 1.385 3.304 0 N-CA-C 121.901 3.52 . . . . 0.0 121.901 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.424 ' HB2' ' HB2' ' B' ' 73' ' ' ARG . 24.9 mtm-85 -63.04 57.09 0.02 OUTLIER 'General case' 0 C--N 1.386 2.171 1 C-N-CA 135.374 5.469 . . . . 0.0 112.069 -176.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.426 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 2.3 mmm180 -56.47 133.98 53.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 131.642 3.977 . . . . 0.0 113.752 -170.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.403 11.2 mt -99.07 155.19 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.026 0 C-N-CA 128.937 2.895 . . . . 0.0 111.265 -164.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.257 18.8 mtm180 . . . . . 0 C--N 1.371 1.504 1 C-N-CA 133.211 4.604 . . . . 0.0 109.485 -162.617 . . . . . . . . 2 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.465 -3.048 0 CA-C-O 115.74 -2.7 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -90.14 3.15 5.06 Favored 'Trans proline' 0 C--N 1.376 1.989 0 CA-C-N 122.963 3.382 . . . . 0.0 114.894 148.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . 0.394 0.0 OUTLIER -161.48 170.37 8.31 Favored Pre-proline 0 CA--C 1.569 1.692 0 C-N-CA 131.454 3.902 . . . . 0.0 109.557 166.006 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -73.58 116.18 4.59 Favored 'Trans proline' 0 CA--C 1.566 2.089 1 CA-C-N 128.923 4.223 . . . . 0.0 114.483 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . 0.418 9.5 mtt85 25.06 131.04 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.168 1 C-N-CA 132.82 4.448 . . . . 0.0 119.822 173.858 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 -39.07 5.88 Favored Glycine 0 CA--C 1.492 -1.384 0 C-N-CA 129.625 3.488 . . . . 0.0 113.069 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.529 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.395 0.4 OUTLIER -150.82 170.73 18.55 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 126.539 1.935 . . . . 0.0 113.606 -173.033 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -97.34 4.81 50.64 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.53 1.932 . . . . 0.0 115.566 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.31 88.15 1.99 Allowed Glycine 0 C--N 1.364 2.136 0 CA-C-N 119.637 1.108 . . . . 0.0 112.179 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . 0.517 1.4 mptt 89.03 81.33 0.01 OUTLIER 'General case' 0 C--N 1.358 0.952 0 C-N-CA 131.339 3.856 . . . . 0.0 112.238 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.36 -15.67 0.78 Allowed Glycine 0 C--N 1.367 2.3 0 C-N-CA 130.437 3.875 . . . . 0.0 119.916 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -66.35 46.64 0.03 OUTLIER 'General case' 0 C--N 1.376 1.75 1 C-N-CA 132.991 4.516 . . . . 0.0 115.69 -167.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.529 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.521 2.3 mmm-85 -50.9 148.6 4.04 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 131.011 3.725 . . . . 0.0 115.051 -164.037 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.331 10.7 mt -119.05 154.38 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-N 110.579 -3.009 . . . . 0.0 108.938 -174.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.313 20.8 mtp85 . . . . . 0 C--N 1.369 1.436 1 C-N-CA 138.04 6.536 . . . . 0.0 107.516 -168.587 . . . . . . . . 2 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.619 0 N-CA-C 121.196 3.238 . . . . 0.0 121.196 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.83 -64.07 0.04 OUTLIER 'Trans proline' 1 C--N 1.414 4.002 0 CA-C-N 123.933 3.866 . . . . 0.0 113.12 161.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -169.7 0.23 Allowed Pre-proline 0 CA--C 1.589 2.468 0 C-N-CA 128.833 2.853 . . . . 0.0 113.076 155.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -62.36 164.53 17.46 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 124.518 3.479 . . . . 0.0 112.819 146.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . 0.422 ' HB2' ' CD1' ' B' ' 79' ' ' ILE . 2.7 mtt85 -55.05 151.77 8.59 Favored 'General case' 0 N--CA 1.502 2.137 1 C-N-CA 132.823 4.449 . . . . 0.0 116.949 -173.428 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.85 -37.67 9.21 Favored Glycine 0 CA--C 1.485 -1.823 0 C-N-CA 129.819 3.581 . . . . 0.0 115.819 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.341 0.5 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.735 -177.992 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . 0.283 82.3 mtt180 -105.22 22.1 15.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.626 2.77 . . . . 0.0 115.601 168.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.98 -50.47 1.01 Allowed Glycine 0 C--N 1.373 2.616 0 C-N-CA 129.749 3.547 . . . . 0.0 117.604 162.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -74.96 -5.34 43.34 Favored 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 128.272 2.629 . . . . 0.0 115.106 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.38 4.12 23.76 Favored Glycine 0 C--N 1.364 2.095 1 C-N-CA 133.702 5.43 . . . . 0.0 115.513 -171.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtm-85 -74.8 74.42 2.1 Favored 'General case' 0 N--CA 1.445 -0.722 1 C-N-CA 137.812 6.445 . . . . 0.0 113.216 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.588 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.377 0.4 OUTLIER -60.02 163.09 5.0 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 119.555 3.168 . . . . 0.0 119.555 -178.997 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.514 ' CG2' ' H ' ' B' ' 80' ' ' ARG 0.377 8.2 mt -120.21 -175.66 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.59 2.507 0 C-N-CA 130.997 3.719 . . . . 0.0 108.584 -178.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.514 ' H ' ' CG2' ' B' ' 79' ' ' ILE 0.498 30.7 mtp85 . . . . . 0 C--N 1.37 1.457 1 C-N-CA 133.398 4.679 . . . . 0.0 114.84 -162.832 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.471 -2.686 0 CA-C-O 115.05 -3.083 . . . . 0.0 112.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . 0.276 36.3 Cg_endo -100.04 -25.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.655 0 CA-C-N 123.66 3.73 . . . . 0.0 113.529 148.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -116.37 -178.31 0.51 Allowed Pre-proline 0 CA--C 1.58 2.121 1 C-N-CA 131.925 4.09 . . . . 0.0 109.48 173.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.28 161.88 39.61 Favored 'Trans proline' 0 CA--C 1.575 2.541 1 C-N-CA 126.639 4.893 . . . . 0.0 112.466 148.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' B' ' 70' ' ' ARG . 16.5 mtt85 -43.35 138.22 2.42 Favored 'General case' 0 N--CA 1.523 3.221 1 C-N-CA 134.894 5.277 . . . . 0.0 117.189 -170.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.19 -40.5 8.53 Favored Glycine 0 C--N 1.381 3.047 0 C-N-CA 128.776 3.084 . . . . 0.0 112.838 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.529 ' HB ' ' HA ' ' B' ' 78' ' ' ARG . 0.2 OUTLIER -153.29 169.49 22.94 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.906 1.682 . . . . 0.0 112.999 -173.691 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -88.73 7.69 32.53 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.09 -94.37 0.2 Allowed Glycine 0 C--N 1.384 3.245 0 C-N-CA 128.417 2.913 . . . . 0.0 110.083 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -73.9 77.23 1.64 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.746 3.218 . . . . 0.0 109.395 168.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.09 -27.59 2.01 Favored Glycine 0 C--N 1.374 2.639 0 N-CA-C 120.085 2.794 . . . . 0.0 120.085 160.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -48.15 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 1 C-N-CA 134.369 5.068 . . . . 0.0 117.438 166.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.529 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 0.1 OUTLIER -40.96 146.26 0.17 Allowed 'General case' 0 C--N 1.38 1.903 1 C-N-CA 133.643 4.777 . . . . 0.0 119.588 179.846 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.283 3.5 mt -126.64 141.87 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 1 C-N-CA 132.103 4.161 . . . . 0.0 109.747 -175.803 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.255 21.4 mtp-105 . . . . . 0 C--N 1.379 1.87 1 C-N-CA 134.72 5.208 . . . . 0.0 111.74 -169.619 . . . . . . . . 2 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.471 -2.657 1 CA-C-O 112.476 -4.513 . . . . 0.0 113.186 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . 0.294 91.1 Cg_endo -77.5 -58.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.388 2.611 1 CA-C-N 127.795 5.797 . . . . 0.0 111.412 164.352 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.403 ' H ' ' HD2' ' B' ' 68' ' ' ARG 0.274 0.0 OUTLIER -89.07 -172.91 0.36 Allowed Pre-proline 0 CA--C 1.578 2.047 0 C-N-CA 130.733 3.613 . . . . 0.0 112.721 162.458 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -71.83 149.74 54.43 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 124.696 3.597 . . . . 0.0 111.835 153.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . 0.436 ' HD2' HH11 ' B' ' 70' ' ' ARG . 14.7 mtt180 -21.08 131.19 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.316 1 C-N-CA 133.261 4.625 . . . . 0.0 117.223 176.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.74 -39.34 8.84 Favored Glycine 0 CA--C 1.495 -1.205 0 C-N-CA 129.209 3.29 . . . . 0.0 112.587 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' B' ' 78' ' ' ARG 0.277 0.1 OUTLIER -143.68 157.78 44.15 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.601 3.16 . . . . 0.0 116.707 -170.526 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.421 ' HG3' HG12 ' B' ' 79' ' ' ILE . 71.2 mtt180 -86.38 12.41 10.2 Favored 'General case' 0 C--N 1.366 1.306 1 C-N-CA 133.909 4.883 . . . . 0.0 115.784 162.354 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.8 -100.89 0.84 Allowed Glycine 0 C--N 1.373 2.624 1 C-N-CA 132.635 4.921 . . . . 0.0 109.218 162.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -48.83 56.26 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.179 1 C-N-CA 133.545 4.738 . . . . 0.0 116.414 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.14 -2.9 0.89 Allowed Glycine 0 C--N 1.363 2.078 1 C-N-CA 130.867 4.079 . . . . 0.0 119.465 -169.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -65.76 69.12 0.05 OUTLIER 'General case' 0 C--N 1.368 1.398 1 C-N-CA 135.363 5.465 . . . . 0.0 113.988 177.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' B' ' 72' ' ' THR 0.283 0.1 OUTLIER -65.71 156.64 32.38 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.924 1.821 . . . . 0.0 114.017 -172.066 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.421 HG12 ' HG3' ' B' ' 73' ' ' ARG . 1.9 mt -125.2 106.3 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 1 C-N-CA 132.605 4.362 . . . . 0.0 107.295 -176.525 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.274 71.7 mtm-85 . . . . . 0 C--N 1.361 1.099 1 C-N-CA 138.066 6.546 . . . . 0.0 104.851 176.076 . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.916 HO5' ' P ' ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.008 0 O5'-P-OP1 118.219 3.489 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.571 4.332 0 C3'-C2'-C1' 105.095 3.994 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . 0.408 ' C2 ' ' C5 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.557 3.612 2 N19-C1'-C2' 122.337 5.586 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.464 ' C2 ' ' C5 ' ' A' ' 8' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.562 4.022 1 P-O5'-C5' 128.617 4.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . 0.464 ' C5 ' ' C2 ' ' A' ' 7' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.575 5.031 1 O5'-C5'-C4' 118.748 6.105 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.551 ' P ' HH12 ' B' ' 81' ' ' ARG . . . . . . . . 1 P--O3' 1.533 -6.165 3 P-O3'-C3' 124.656 4.13 OUTLIER-EPSILON 0.273 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . 0.473 " H1'" H5'' ' A' ' 11' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.557 2.957 3 P-O3'-C3' 130.058 8.632 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.473 H5'' " H1'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.562 3.968 2 P-O3'-C3' 128.274 7.145 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.787 0 P-O3'-C3' 115.293 -3.672 . 0.07 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.577 ' C2 ' ' C4 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.948 3 N19-C1'-C2' 121.334 4.958 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.577 ' C4 ' ' C2 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.557 2.94 2 N19-C1'-C2' 125.136 7.335 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.839 1 P-O3'-C3' 127.424 6.436 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.498 ' C4 ' ' N3 ' ' A' ' 17' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.585 5.733 1 O5'-C5'-C4' 117.283 5.059 . 0.748 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . 0.498 ' N3 ' ' C4 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 P--O5' 1.554 -3.919 4 P-O5'-C5' 133.303 7.752 . 0.581 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.678 " H2'" ' C6 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 P--O3' 1.548 -4.954 3 P-O3'-C3' 134.357 12.214 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ' U' . . . . . 0.678 ' C6 ' " H2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.529 0 C3'-C2'-C1' 104.435 3.261 OUTLIER-EPSILON 0.118 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.568 4.437 6 P-O3'-C3' 131.847 10.123 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.55 HO2' " C5'" ' A' ' 22' ' ' ' G' . . . . . . . . 1 P--O3' 1.537 -5.82 3 P-O3'-C3' 132.551 10.709 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.55 " C5'" HO2' ' A' ' 21' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.582 5.534 2 P-O3'-C3' 131.192 9.576 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.515 0 OP1-P-OP2 114.058 -3.695 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . 0.474 " H5'" ' OP1' ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.57 4.606 2 P-O3'-C3' 139.628 16.607 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ' C' . . . . . 0.42 ' H42' ' HB3' ' B' ' 73' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.685 3 P-O3'-C3' 125.931 5.193 . 0.295 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.651 1 O4'-C1'-N19 114.04 5.84 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.588 6.028 3 P-O5'-C5' 131.053 6.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.365 1 O5'-C5'-C4' 116.803 4.717 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . 0.602 " H2'" ' C6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O3' 1.559 -3.997 2 P-O3'-C3' 137.792 15.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.602 ' C6 ' " H2'" ' A' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.747 1 N19-C1'-C2' 105.431 -4.981 . 0.636 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.802 1 P-O3'-C3' 114.344 -4.463 . 0.124 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.664 ' H2 ' ' NH2' ' B' ' 70' ' ' ARG . 24.1 m . . . . . 0 N--CA 1.514 2.726 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.48 -125.25 2.94 Favored Glycine 0 C--N 1.381 3.037 0 CA-C-N 121.607 2.003 . . . . 0.0 112.82 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . 0.45 ' HG2' ' C6 ' ' A' ' 18' ' ' ' A' 0.374 46.3 Cg_endo -94.05 -20.67 0.36 Allowed 'Trans proline' 0 CA--C 1.582 2.897 0 C-N-CA 123.697 2.931 . . . . 0.0 112.183 174.633 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.419 ' NE ' ' C2 ' ' A' ' 18' ' ' ' A' . 72.8 mtm180 -98.14 -160.09 0.04 OUTLIER Pre-proline 0 CA--C 1.59 2.514 1 C-N-CA 133.709 4.804 . . . . 0.0 108.033 146.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -64.94 -149.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.584 2.99 0 C-N-CA 124.529 3.486 . . . . 0.0 114.96 163.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.664 ' NH2' ' H2 ' ' B' ' 65' ' ' SER . 27.6 mtt85 -82.28 143.04 31.59 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 126.256 1.822 . . . . 0.0 108.825 155.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.73 -41.07 11.3 Favored Glycine 0 C--N 1.346 1.103 0 C-N-CA 129.194 3.283 . . . . 0.0 113.398 169.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.426 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.308 0.1 OUTLIER -161.18 167.61 25.79 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 118.252 2.686 . . . . 0.0 118.252 -164.757 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.424 ' HB2' ' HB2' ' B' ' 77' ' ' ARG 0.325 58.3 mtt180 -101.32 42.61 1.11 Allowed 'General case' 0 C--N 1.373 1.602 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 166.347 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.1 11.91 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 120.356 2.903 . . . . 0.0 120.356 156.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.55 63.4 1.63 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 129.12 2.968 . . . . 0.0 105.067 167.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 -11.65 0.24 Allowed Glycine 0 C--N 1.385 3.304 0 N-CA-C 121.901 3.52 . . . . 0.0 121.901 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.424 ' HB2' ' HB2' ' B' ' 73' ' ' ARG . 24.9 mtm-85 -63.04 57.09 0.02 OUTLIER 'General case' 0 C--N 1.386 2.171 1 C-N-CA 135.374 5.469 . . . . 0.0 112.069 -176.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.426 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 2.3 mmm180 -56.47 133.98 53.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 131.642 3.977 . . . . 0.0 113.752 -170.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.409 HG22 ' C5 ' ' A' ' 10' ' ' ' U' 0.403 11.2 mt -99.07 155.19 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.026 0 C-N-CA 128.937 2.895 . . . . 0.0 111.265 -164.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.257 18.8 mtm180 86.13 71.24 0.01 OUTLIER 'General case' 0 C--N 1.371 1.504 1 C-N-CA 133.211 4.604 . . . . 0.0 109.485 -162.617 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.551 HH12 ' P ' ' A' ' 9' ' ' ' G' . 3.8 mmt85 . . . . . 0 C--O 1.26 1.646 0 C-N-CA 127.441 2.297 . . . . 0.0 112.141 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.812 HO5' ' P ' ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.608 0 N19-C1'-C2' 119.349 3.718 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.494 ' C6 ' ' C6 ' ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 3.014 1 P-O3'-C3' 130.011 8.593 . 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.588 6.047 4 N19-C1'-C2' 126.983 8.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.577 5.124 2 P-O3'-C3' 130.9 9.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.747 2 P-O3'-C3' 114.052 -4.707 . 0.417 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 5.03 1 P-O5'-C5' 128.436 4.71 . 0.412 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . 0.462 H5'' HH22 ' B' ' 73' ' ' ARG . . . . . . . . 0 C5'--C4' 1.555 3.461 1 N19-C1'-C2' 122.967 5.979 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.454 " H2'" ' O2 ' ' A' ' 10' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.563 4.085 3 P-O3'-C3' 130.186 8.738 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.21 0 O3'-P-O5' 97.169 -3.595 . 0.285 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.461 ' C2 ' ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.908 0 O4'-C4'-C3' 100.526 -3.553 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.461 ' C8 ' ' C2 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.567 3.877 2 C5'-C4'-C3' 108.668 -4.555 . 0.248 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.535 ' H42' ' HG3' ' B' ' 70' ' ' ARG . . . . . . . . 0 C2'--C1' 1.559 3.13 0 O3'-P-O5' 97.093 -3.635 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.516 ' C2 ' ' C2 ' ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.571 4.676 0 O4'-C1'-N19 111.756 3.556 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . 0.419 ' N3 ' ' HB3' ' B' ' 67' ' ' PRO . . . . . . . . 1 C5'--C4' 1.562 4.018 1 P-O3'-C3' 129.207 7.923 . 0.55 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.583 ' C4 ' ' C5 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 C2'--C1' 1.571 4.292 3 O4'-C1'-N19 99.666 -8.534 . 0.116 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ' U' . . . . . 0.583 ' C5 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.593 6.367 4 O5'-C5'-C4' 119.918 6.942 . 0.056 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.49 ' C2 ' ' HD3' ' B' ' 68' ' ' ARG . . . . . . . . 0 C5'--C4' 1.557 3.616 3 C3'-C2'-C1' 107.63 6.811 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.424 " H5'" " H4'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 P--O3' 1.562 -3.777 4 P-O3'-C3' 132.115 10.346 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.626 " H2'" ' C6 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.564 3.553 4 P-O3'-C3' 126.846 5.955 . 0.01 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.626 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.563 4.107 4 O4'-C1'-N19 113.263 5.063 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . 0.469 ' P ' ' HZ1' ' B' ' 75' ' ' LYS . . . . . . . . 0 P--O3' 1.566 -3.446 3 P-O3'-C3' 130.825 9.271 . 0.628 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ' C' . . . . . 0.486 ' C2 ' ' C5 ' ' A' ' 26' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.566 4.312 3 P-O5'-C5' 131.615 6.697 . 0.127 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' C' . . . . . 0.486 ' C5 ' ' C2 ' ' A' ' 25' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.57 4.62 1 O5'-C5'-C4' 117.357 5.112 . 0.166 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.766 2 P-O3'-C3' 124.82 4.266 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.563 3.485 0 O5'-C5'-C4' 115.664 3.903 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.582 5.563 1 O5'-C5'-C4' 117.541 5.244 . 0.375 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.49 " H2'" ' C6 ' ' A' ' 31' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.56 3.839 2 O4'-C1'-N19 113.285 5.085 . 0.841 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . 0.49 ' C6 ' " H2'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 C2'--C1' 1.563 3.463 1 N19-C1'-C2' 120.494 4.433 . 0.046 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.51 2.561 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.29 -106.84 2.78 Favored Glycine 0 CA--C 1.465 -3.048 0 CA-C-O 115.74 -2.7 . . . . 0.0 109.289 -162.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . 0.442 ' HG2' ' C2 ' ' A' ' 18' ' ' ' A' . 35.8 Cg_endo -90.14 3.15 5.06 Favored 'Trans proline' 0 C--N 1.376 1.989 0 CA-C-N 122.963 3.382 . . . . 0.0 114.894 148.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.49 ' HD3' ' C2 ' ' A' ' 20' ' ' ' U' 0.394 0.0 OUTLIER -161.48 170.37 8.31 Favored Pre-proline 0 CA--C 1.569 1.692 0 C-N-CA 131.454 3.902 . . . . 0.0 109.557 166.006 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -73.58 116.18 4.59 Favored 'Trans proline' 0 CA--C 1.566 2.089 1 CA-C-N 128.923 4.223 . . . . 0.0 114.483 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.535 ' HG3' ' H42' ' A' ' 15' ' ' ' C' 0.418 9.5 mtt85 25.06 131.04 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.168 1 C-N-CA 132.82 4.448 . . . . 0.0 119.822 173.858 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 -39.07 5.88 Favored Glycine 0 CA--C 1.492 -1.384 0 C-N-CA 129.625 3.488 . . . . 0.0 113.069 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.529 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.395 0.4 OUTLIER -150.82 170.73 18.55 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 126.539 1.935 . . . . 0.0 113.606 -173.033 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.462 HH22 H5'' ' A' ' 10' ' ' ' U' . 83.8 mtt180 -97.34 4.81 50.64 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.53 1.932 . . . . 0.0 115.566 172.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.31 88.15 1.99 Allowed Glycine 0 C--N 1.364 2.136 0 CA-C-N 119.637 1.108 . . . . 0.0 112.179 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.479 ' HE3' H5'' ' A' ' 23' ' ' ' C' 0.517 1.4 mptt 89.03 81.33 0.01 OUTLIER 'General case' 0 C--N 1.358 0.952 0 C-N-CA 131.339 3.856 . . . . 0.0 112.238 -179.417 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.36 -15.67 0.78 Allowed Glycine 0 C--N 1.367 2.3 0 C-N-CA 130.437 3.875 . . . . 0.0 119.916 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -66.35 46.64 0.03 OUTLIER 'General case' 0 C--N 1.376 1.75 1 C-N-CA 132.991 4.516 . . . . 0.0 115.69 -167.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.529 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.521 2.3 mmm-85 -50.9 148.6 4.04 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 131.011 3.725 . . . . 0.0 115.051 -164.037 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.331 10.7 mt -119.05 154.38 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-N 110.579 -3.009 . . . . 0.0 108.938 -174.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.313 20.8 mtp85 103.27 65.36 0.0 OUTLIER 'General case' 0 C--N 1.369 1.436 1 C-N-CA 138.04 6.536 . . . . 0.0 107.516 -168.587 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 . . . . . 0 C--N 1.38 1.898 0 CA-C-O 116.046 -1.931 . . . . 0.0 112.422 -160.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.873 HO5' ' P ' ' A' ' 4' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.563 3.523 0 P-O5'-C5' 124.928 2.518 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.685 3 O4'-C1'-N19 103.152 -5.048 . 0.46 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . 0.418 ' C2 ' ' C5 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 P--O5' 1.567 -2.551 3 C5'-C4'-C3' 107.602 -5.265 . 0.134 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.418 ' C5 ' ' C2 ' ' A' ' 6' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.572 4.767 3 O4'-C1'-N19 117.399 9.199 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.569 4.072 1 P-O5'-C5' 113.376 -4.702 . 0.573 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.403 ' C8 ' ' NH1' ' B' ' 73' ' ' ARG . . . . . . . . 0 C2'--C1' 1.567 3.911 3 O4'-C4'-C3' 97.531 -5.692 . 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . 0.505 ' C6 ' ' NH2' ' B' ' 73' ' ' ARG . . . . . . . . 0 P--O5' 1.631 3.832 3 N19-C1'-C2' 125.134 7.334 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.488 2.882 3 P-O3'-C3' 131.681 9.984 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.555 -3.785 1 P-O3'-C3' 114.542 -4.298 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.452 ' N1 ' ' C5 ' ' A' ' 14' ' ' ' G' . . . . . . . . 1 C2'--C1' 1.568 4.048 1 C4'-C3'-C2' 97.442 -5.258 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.486 ' O6 ' ' HG2' ' B' ' 70' ' ' ARG . . . . . . . . 1 C5'--C4' 1.564 4.178 2 O5'-C5'-C4' 120.365 7.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.895 1 N19-C1'-C2' 120.309 4.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.465 ' C5 ' ' HA2' ' B' ' 66' ' ' GLY . . . . . . . . 0 C5'--C4' 1.549 3.038 1 C3'-C2'-C1' 105.423 4.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . 0.577 ' C2 ' ' HB3' ' B' ' 67' ' ' PRO . . . . . . . . 0 O4'--C1' 1.454 3.342 1 C5'-C4'-O4' 116.816 5.44 . 0.325 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.556 ' C4 ' ' C6 ' ' A' ' 19' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.566 3.839 3 O4'-C1'-N19 102.581 -5.619 . 0.069 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ' U' . . . . . 0.556 ' C6 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.589 6.106 3 O4'-C1'-N19 116.5 8.3 . 0.01 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.392 2 C3'-C2'-C1' 105.987 4.986 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.642 ' C4 ' ' NH1' ' B' ' 68' ' ' ARG . . . . . . . . 0 C2'--C1' 1.502 -2.64 2 P-O3'-C3' 132.603 10.753 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.634 " H2'" ' C6 ' ' A' ' 23' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.568 4.496 4 O4'-C1'-N19 115.171 6.971 . 0.023 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.634 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.569 4.526 2 P-O5'-C5' 128.248 4.592 . 0.267 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.562 3.992 4 P-O3'-C3' 136.878 14.315 . 0.387 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ' C' . . . . . 0.411 " H2'" ' C6 ' ' A' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.559 3.785 2 P-O5'-C5' 131.277 6.486 . 0.598 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' C' . . . . . 0.411 ' C6 ' " H2'" ' A' ' 25' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.573 4.835 1 O5'-C5'-C4' 116.257 4.327 . 0.368 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.559 3.078 1 N19-C1'-C2' 126.788 8.368 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.575 4.727 2 P-O3'-C3' 129.693 8.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . 0.493 " H2'" ' C6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.569 4.556 1 O5'-C5'-C4' 116.072 4.194 . 0.258 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.493 ' C6 ' " H2'" ' A' ' 29' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.573 4.871 1 C4'-C3'-C2' 106.702 4.002 . 0.216 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 4.768 1 C4'-C3'-C2' 107.571 4.871 . 0.016 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.7 p . . . . . 0 N--CA 1.506 2.365 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.465 ' HA2' ' C5 ' ' A' ' 16' ' ' ' U' . . . 128.96 174.8 13.83 Favored Glycine 1 C--N 1.402 4.208 0 N-CA-C 121.196 3.238 . . . . 0.0 121.196 178.519 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . 0.577 ' HB3' ' C2 ' ' A' ' 17' ' ' ' C' . 42.2 Cg_endo -71.83 -64.07 0.04 OUTLIER 'Trans proline' 1 C--N 1.414 4.002 0 CA-C-N 123.933 3.866 . . . . 0.0 113.12 161.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.642 ' NH1' ' C4 ' ' A' ' 21' ' ' ' A' . 0.0 OUTLIER -84.39 -169.7 0.23 Allowed Pre-proline 0 CA--C 1.589 2.468 0 C-N-CA 128.833 2.853 . . . . 0.0 113.076 155.18 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -62.36 164.53 17.46 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 124.518 3.479 . . . . 0.0 112.819 146.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.486 ' HG2' ' O6 ' ' A' ' 14' ' ' ' G' . 2.7 mtt85 -55.05 151.77 8.59 Favored 'General case' 0 N--CA 1.502 2.137 1 C-N-CA 132.823 4.449 . . . . 0.0 116.949 -173.428 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.403 ' CA ' ' C8 ' ' A' ' 21' ' ' ' A' . . . -85.85 -37.67 9.21 Favored Glycine 0 CA--C 1.485 -1.823 0 C-N-CA 129.819 3.581 . . . . 0.0 115.819 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.341 0.5 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.735 -177.992 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.505 ' NH2' ' C6 ' ' A' ' 10' ' ' ' U' 0.283 82.3 mtt180 -105.22 22.1 15.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.626 2.77 . . . . 0.0 115.601 168.48 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.98 -50.47 1.01 Allowed Glycine 0 C--N 1.373 2.616 0 C-N-CA 129.749 3.547 . . . . 0.0 117.604 162.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -74.96 -5.34 43.34 Favored 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 128.272 2.629 . . . . 0.0 115.106 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.38 4.12 23.76 Favored Glycine 0 C--N 1.364 2.095 1 C-N-CA 133.702 5.43 . . . . 0.0 115.513 -171.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtm-85 -74.8 74.42 2.1 Favored 'General case' 0 N--CA 1.445 -0.722 1 C-N-CA 137.812 6.445 . . . . 0.0 113.216 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.588 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.377 0.4 OUTLIER -60.02 163.09 5.0 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 119.555 3.168 . . . . 0.0 119.555 -178.997 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.514 ' CG2' ' H ' ' B' ' 80' ' ' ARG 0.377 8.2 mt -120.21 -175.66 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.59 2.507 0 C-N-CA 130.997 3.719 . . . . 0.0 108.584 -178.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.514 ' H ' ' CG2' ' B' ' 79' ' ' ILE 0.498 30.7 mtp85 51.65 52.61 14.27 Favored 'General case' 0 C--N 1.37 1.457 1 C-N-CA 133.398 4.679 . . . . 0.0 114.84 -162.832 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.432 ' HG3' H5'' ' A' ' 10' ' ' ' U' . 0.6 OUTLIER . . . . . 0 C--O 1.259 1.557 1 C-N-CA 135.045 5.338 . . . . 0.0 109.574 -179.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.842 HO5' ' P ' ' A' ' 4' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.558 3.029 0 C4'-C3'-C2' 99.663 -3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.562 -3.089 3 OP1-P-OP2 110.837 -5.842 . 0.386 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.896 4 P-O3'-C3' 130.475 8.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.565 3.733 0 P-O5'-C5' 114.888 -3.757 . 0.131 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . 0.511 ' C5 ' ' HD2' ' B' ' 77' ' ' ARG . . . . . . . . 1 P--O3' 1.557 -4.143 2 P-O3'-C3' 130.37 8.892 . 0.731 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.594 6.571 2 N19-C1'-C2' 121.388 4.992 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . 0.509 ' C5 ' HD11 ' B' ' 79' ' ' ILE . . . . . . . . 0 C5'--C4' 1.557 3.621 4 N19-C1'-C2' 123.993 6.62 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.491 3.193 4 P-O3'-C3' 132.04 10.283 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.546 -4.707 0 O3'-P-O5' 96.788 -3.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.55 2.189 1 P-O5'-C5' 129.082 5.114 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.41 ' C5 ' ' C5 ' ' A' ' 15' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.572 4.789 1 O5'-C5'-C4' 116.253 4.324 . 0.366 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.41 ' C5 ' ' C5 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.488 2.942 2 P-O3'-C3' 125.945 5.204 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.539 ' C4 ' ' HA3' ' B' ' 66' ' ' GLY . . . . . . . . 0 C5'--C4' 1.552 3.235 1 O4'-C1'-N19 112.258 4.058 . 0.082 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . 0.58 " H1'" ' C8 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.553 3.288 3 P-O3'-C3' 127.065 6.137 . 0.134 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.587 ' C4 ' ' C6 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 P--O3' 1.558 -4.054 5 P-O3'-C3' 130.59 9.075 . 0.032 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ' U' . . . . . 0.587 ' C6 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.58 5.359 3 O5'-C5'-C4' 118.678 6.055 . 0.017 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.541 ' C2 ' ' HD2' ' B' ' 68' ' ' ARG . . . . . . . . 2 C5'--C4' 1.575 4.995 1 P-O3'-C3' 134.283 12.152 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.48 H5'' " H4'" ' A' ' 19' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.563 3.513 1 C5'-C4'-O4' 102.421 -4.842 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.514 ' C6 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.568 4.497 2 N19-C1'-C2' 121.119 4.824 . 0.439 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.514 ' C4 ' ' C6 ' ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.582 5.524 3 O4'-C1'-N19 115.937 7.737 . 0.834 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . 0.461 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.555 3.428 0 N19-C1'-C2' 107.318 -3.801 . 0.743 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ' C' . . . . . 0.448 ' C6 ' ' C2 ' ' A' ' 24' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.564 4.189 3 N19-C1'-C2' 120.505 4.441 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' C' . . . . . 0.421 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.402 0 P-O5'-C5' 127.069 3.855 . 0.279 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . 0.421 ' C8 ' " H2'" ' A' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.818 1 P-O3'-C3' 125.333 4.694 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.562 4.003 2 O5'-C5'-C4' 116.381 4.415 . 0.135 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . 0.629 " H2'" ' C6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 1 P--O3' 1.554 -4.412 3 P-O3'-C3' 136.27 13.809 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.629 ' C6 ' " H2'" ' A' ' 29' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.558 3.698 0 P-O5'-C5' 124.842 2.463 . 0.204 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.574 4.588 0 O5'-C5'-C4' 115.635 3.882 . 0.431 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.516 2.861 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.539 ' HA3' ' C4 ' ' A' ' 16' ' ' ' U' . . . -127.76 -94.93 0.85 Allowed Glycine 0 CA--C 1.471 -2.686 0 CA-C-O 115.05 -3.083 . . . . 0.0 112.981 -152.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . 0.518 ' HG2' ' C2 ' ' A' ' 18' ' ' ' A' 0.276 36.3 Cg_endo -100.04 -25.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.655 0 CA-C-N 123.66 3.73 . . . . 0.0 113.529 148.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.541 ' HD2' ' C2 ' ' A' ' 20' ' ' ' U' . 67.6 mtm180 -116.37 -178.31 0.51 Allowed Pre-proline 0 CA--C 1.58 2.121 1 C-N-CA 131.925 4.09 . . . . 0.0 109.48 173.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.28 161.88 39.61 Favored 'Trans proline' 0 CA--C 1.575 2.541 1 C-N-CA 126.639 4.893 . . . . 0.0 112.466 148.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' B' ' 70' ' ' ARG . 16.5 mtt85 -43.35 138.22 2.42 Favored 'General case' 0 N--CA 1.523 3.221 1 C-N-CA 134.894 5.277 . . . . 0.0 117.189 -170.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.19 -40.5 8.53 Favored Glycine 0 C--N 1.381 3.047 0 C-N-CA 128.776 3.084 . . . . 0.0 112.838 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.529 ' HB ' ' HA ' ' B' ' 78' ' ' ARG . 0.2 OUTLIER -153.29 169.49 22.94 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.906 1.682 . . . . 0.0 112.999 -173.691 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -88.73 7.69 32.53 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.09 -94.37 0.2 Allowed Glycine 0 C--N 1.384 3.245 0 C-N-CA 128.417 2.913 . . . . 0.0 110.083 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -73.9 77.23 1.64 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.746 3.218 . . . . 0.0 109.395 168.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.09 -27.59 2.01 Favored Glycine 0 C--N 1.374 2.639 0 N-CA-C 120.085 2.794 . . . . 0.0 120.085 160.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.511 ' HD2' ' C5 ' ' A' ' 8' ' ' ' C' . 27.8 mtm-85 -48.15 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 1 C-N-CA 134.369 5.068 . . . . 0.0 117.438 166.471 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.529 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 0.1 OUTLIER -40.96 146.26 0.17 Allowed 'General case' 0 C--N 1.38 1.903 1 C-N-CA 133.643 4.777 . . . . 0.0 119.588 179.846 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.509 HD11 ' C5 ' ' A' ' 10' ' ' ' U' 0.283 3.5 mt -126.64 141.87 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 1 C-N-CA 132.103 4.161 . . . . 0.0 109.747 -175.803 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.255 21.4 mtp-105 78.47 74.76 0.05 Allowed 'General case' 0 C--N 1.379 1.87 1 C-N-CA 134.72 5.208 . . . . 0.0 111.74 -169.619 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.959 0 C-N-CA 127.707 2.403 . . . . 0.0 114.621 -160.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.855 HO5' ' P ' ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.556 3.536 0 O4'-C1'-C2' 101.138 -3.759 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.611 0 O5'-P-OP2 102.812 -2.033 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . 0.546 " H2'" ' C6 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.559 3.149 1 P-O3'-C3' 125.883 5.152 . 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.546 ' C6 ' " H2'" ' A' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.558 3.703 0 C4'-C3'-C2' 106.422 3.722 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.554 -4.417 3 P-O5'-C5' 129.632 5.458 . 0.01 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.592 6.423 5 C4'-C3'-C2' 96.873 -5.827 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . 0.535 ' C5 ' HD11 ' B' ' 79' ' ' ILE . . . . . . . . 0 C5'--C4' 1.554 3.414 1 N19-C1'-C2' 120.504 4.44 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.458 ' N7 ' ' NH1' ' B' ' 73' ' ' ARG . . . . . . . . 0 P--O3' 1.571 -2.992 1 P-O3'-C3' 134.497 12.331 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.092 3 O4'-C1'-N19 115.1 6.9 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.588 ' C2 ' ' C4 ' ' A' ' 14' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.574 4.903 1 O4'-C1'-N19 112.815 4.615 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.588 ' C4 ' ' C2 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.561 3.262 1 P-O3'-C3' 126.533 5.694 . 0.111 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.576 5.058 0 O5'-C5'-C4' 115.69 3.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.583 ' C4 ' ' HA3' ' B' ' 66' ' ' GLY . . . . . . . . 0 C2'--C1' 1.494 -3.401 1 O4'-C1'-N19 112.498 4.298 . 0.151 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . 0.512 " H1'" ' C8 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.446 2.675 2 C3'-C2'-C1' 105.376 4.307 . 0.366 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.642 ' C4 ' ' C6 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 C2'--C1' 1.576 4.805 4 C5'-C4'-C3' 108.224 -4.851 . 0.011 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ' U' . . . . . 0.642 ' C6 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 2 P--O3' 1.546 -5.097 4 O4'-C1'-N19 115.557 7.357 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.475 " H1'" HH21 ' B' ' 68' ' ' ARG . . . . . . . . 0 P--O3' 1.575 -2.651 4 P-O3'-C3' 137.231 14.609 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.526 ' C6 ' ' HD3' ' B' ' 68' ' ' ARG . . . . . . . . 0 C3'--C2' 1.489 -3.251 2 C5'-C4'-C3' 105.059 -6.961 . 0.117 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.489 ' C6 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.574 4.941 3 P-O5'-C5' 130.654 6.096 . 0.235 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.632 ' C4 ' ' C5 ' ' A' ' 24' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.601 6.969 3 O5'-C5'-C4' 119.725 6.804 . 0.799 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . 0.632 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 P--O5' 1.631 3.821 1 O4'-C1'-N19 112.488 4.288 . 0.29 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ' C' . . . . . 0.412 ' C4 ' ' N4 ' ' A' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.562 3.97 2 P-O3'-C3' 128.009 6.924 . 0.905 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' C' . . . . . 0.412 ' N4 ' ' C4 ' ' A' ' 25' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.563 4.094 2 N19-C1'-C2' 106.273 -4.454 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.561 3.349 2 P-O3'-C3' 124.797 4.248 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.569 4.552 0 O5'-C5'-C4' 115.687 3.919 . 0.103 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . 0.424 HO2' " C5'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O3'--C3' 1.465 3.019 2 P-O3'-C3' 127.956 6.88 . 0.713 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.424 " C5'" HO2' ' A' ' 29' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.572 4.749 1 P-O5'-C5' 127.896 4.372 . 0.017 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.568 3.967 0 N19-C1'-C2' 118.924 3.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.508 2.45 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.583 ' HA3' ' C4 ' ' A' ' 16' ' ' ' U' . . . -134.09 -99.45 0.65 Allowed Glycine 0 C--N 1.377 2.823 1 CA-C-O 112.476 -4.513 . . . . 0.0 113.186 -176.6 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' PRO . . . . . 0.489 ' HD3' ' C6 ' ' A' ' 17' ' ' ' C' 0.294 91.1 Cg_endo -77.5 -58.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.388 2.611 1 CA-C-N 127.795 5.797 . . . . 0.0 111.412 164.352 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.526 ' HD3' ' C6 ' ' A' ' 21' ' ' ' A' 0.274 0.0 OUTLIER -89.07 -172.91 0.36 Allowed Pre-proline 0 CA--C 1.578 2.047 0 C-N-CA 130.733 3.613 . . . . 0.0 112.721 162.458 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -71.83 149.74 54.43 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 124.696 3.597 . . . . 0.0 111.835 153.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.439 ' HG2' ' O6 ' ' A' ' 14' ' ' ' G' . 14.7 mtt180 -21.08 131.19 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.316 1 C-N-CA 133.261 4.625 . . . . 0.0 117.223 176.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.74 -39.34 8.84 Favored Glycine 0 CA--C 1.495 -1.205 0 C-N-CA 129.209 3.29 . . . . 0.0 112.587 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' B' ' 78' ' ' ARG 0.277 0.1 OUTLIER -143.68 157.78 44.15 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.601 3.16 . . . . 0.0 116.707 -170.526 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.458 ' NH1' ' N7 ' ' A' ' 11' ' ' ' G' . 71.2 mtt180 -86.38 12.41 10.2 Favored 'General case' 0 C--N 1.366 1.306 1 C-N-CA 133.909 4.883 . . . . 0.0 115.784 162.354 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.8 -100.89 0.84 Allowed Glycine 0 C--N 1.373 2.624 1 C-N-CA 132.635 4.921 . . . . 0.0 109.218 162.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -48.83 56.26 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.179 1 C-N-CA 133.545 4.738 . . . . 0.0 116.414 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.14 -2.9 0.89 Allowed Glycine 0 C--N 1.363 2.078 1 C-N-CA 130.867 4.079 . . . . 0.0 119.465 -169.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.437 ' HD3' ' C5 ' ' A' ' 7' ' ' ' U' . 8.0 mtm-85 -65.76 69.12 0.05 OUTLIER 'General case' 0 C--N 1.368 1.398 1 C-N-CA 135.363 5.465 . . . . 0.0 113.988 177.449 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' B' ' 72' ' ' THR 0.283 0.1 OUTLIER -65.71 156.64 32.38 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.924 1.821 . . . . 0.0 114.017 -172.066 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.535 HD11 ' C5 ' ' A' ' 10' ' ' ' U' . 1.9 mt -125.2 106.3 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 1 C-N-CA 132.605 4.362 . . . . 0.0 107.295 -176.525 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.484 ' H ' ' HD2' ' B' ' 81' ' ' ARG 0.274 71.7 mtm-85 128.93 70.63 0.0 OUTLIER 'General case' 0 C--N 1.361 1.099 1 C-N-CA 138.066 6.546 . . . . 0.0 104.851 176.076 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.484 ' HD2' ' H ' ' B' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.568 1.662 0 C-N-CA 128.863 2.865 . . . . 0.0 109.988 -168.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 CA-C-O 117.552 -1.693 . . . . 0.0 112.82 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . 0.374 46.3 Cg_endo -94.05 -20.67 0.36 Allowed 'Trans proline' 0 CA--C 1.582 2.897 0 C-N-CA 123.697 2.931 . . . . 0.0 112.183 174.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.413 ' HB3' ' HD2' ' B' ' 69' ' ' PRO . 72.8 mtm180 -98.14 -160.09 0.04 OUTLIER Pre-proline 0 CA--C 1.59 2.514 1 C-N-CA 133.709 4.804 . . . . 0.0 108.033 146.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 69' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' B' ' 68' ' ' ARG . 31.1 Cg_exo -64.94 -149.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.584 2.99 0 C-N-CA 124.529 3.486 . . . . 0.0 114.96 163.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -82.28 143.04 31.59 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 126.256 1.822 . . . . 0.0 108.825 155.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.73 -41.07 11.3 Favored Glycine 0 C--N 1.346 1.103 0 C-N-CA 129.194 3.283 . . . . 0.0 113.398 169.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.308 0.1 OUTLIER -161.18 167.61 25.79 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 118.252 2.686 . . . . 0.0 118.252 -164.757 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' B' ' 77' ' ' ARG 0.325 58.3 mtt180 -101.32 42.61 1.11 Allowed 'General case' 0 C--N 1.373 1.602 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 166.347 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.1 11.91 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 120.356 2.903 . . . . 0.0 120.356 156.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.55 63.4 1.63 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 129.12 2.968 . . . . 0.0 105.067 167.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 -11.65 0.24 Allowed Glycine 0 C--N 1.385 3.304 0 N-CA-C 121.901 3.52 . . . . 0.0 121.901 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' B' ' 73' ' ' ARG . 24.9 mtm-85 -63.04 57.09 0.02 OUTLIER 'General case' 0 C--N 1.386 2.171 1 C-N-CA 135.374 5.469 . . . . 0.0 112.069 -176.498 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.57 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 2.3 mmm180 -56.47 133.98 53.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 131.642 3.977 . . . . 0.0 113.752 -170.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.403 11.2 mt -99.07 155.19 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.026 0 C-N-CA 128.937 2.895 . . . . 0.0 111.265 -164.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.257 18.8 mtm180 . . . . . 0 C--N 1.371 1.504 1 C-N-CA 133.211 4.604 . . . . 0.0 109.485 -162.617 . . . . . . . . 2 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.465 -3.048 0 CA-C-O 115.74 -2.7 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -90.14 3.15 5.06 Favored 'Trans proline' 0 C--N 1.376 1.989 0 CA-C-N 122.963 3.382 . . . . 0.0 114.894 148.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . 0.394 0.0 OUTLIER -161.48 170.37 8.31 Favored Pre-proline 0 CA--C 1.569 1.692 0 C-N-CA 131.454 3.902 . . . . 0.0 109.557 166.006 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -73.58 116.18 4.59 Favored 'Trans proline' 0 CA--C 1.566 2.089 1 CA-C-N 128.923 4.223 . . . . 0.0 114.483 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . 0.418 9.5 mtt85 25.06 131.04 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.168 1 C-N-CA 132.82 4.448 . . . . 0.0 119.822 173.858 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 -39.07 5.88 Favored Glycine 0 CA--C 1.492 -1.384 0 C-N-CA 129.625 3.488 . . . . 0.0 113.069 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.395 0.4 OUTLIER -150.82 170.73 18.55 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 126.539 1.935 . . . . 0.0 113.606 -173.033 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -97.34 4.81 50.64 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.53 1.932 . . . . 0.0 115.566 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.31 88.15 1.99 Allowed Glycine 0 C--N 1.364 2.136 0 CA-C-N 119.637 1.108 . . . . 0.0 112.179 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . 0.517 1.4 mptt 89.03 81.33 0.01 OUTLIER 'General case' 0 C--N 1.358 0.952 0 C-N-CA 131.339 3.856 . . . . 0.0 112.238 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.36 -15.67 0.78 Allowed Glycine 0 C--N 1.367 2.3 0 C-N-CA 130.437 3.875 . . . . 0.0 119.916 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -66.35 46.64 0.03 OUTLIER 'General case' 0 C--N 1.376 1.75 1 C-N-CA 132.991 4.516 . . . . 0.0 115.69 -167.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.663 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.521 2.3 mmm-85 -50.9 148.6 4.04 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 131.011 3.725 . . . . 0.0 115.051 -164.037 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.331 10.7 mt -119.05 154.38 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-N 110.579 -3.009 . . . . 0.0 108.938 -174.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.313 20.8 mtp85 . . . . . 0 C--N 1.369 1.436 1 C-N-CA 138.04 6.536 . . . . 0.0 107.516 -168.587 . . . . . . . . 2 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.619 0 N-CA-C 121.196 3.238 . . . . 0.0 121.196 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.83 -64.07 0.04 OUTLIER 'Trans proline' 1 C--N 1.414 4.002 0 CA-C-N 123.933 3.866 . . . . 0.0 113.12 161.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -169.7 0.23 Allowed Pre-proline 0 CA--C 1.589 2.468 0 C-N-CA 128.833 2.853 . . . . 0.0 113.076 155.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -62.36 164.53 17.46 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 124.518 3.479 . . . . 0.0 112.819 146.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ARG . . . . . 0.494 ' HB2' HD12 ' B' ' 79' ' ' ILE . 2.7 mtt85 -55.05 151.77 8.59 Favored 'General case' 0 N--CA 1.502 2.137 1 C-N-CA 132.823 4.449 . . . . 0.0 116.949 -173.428 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.85 -37.67 9.21 Favored Glycine 0 CA--C 1.485 -1.823 0 C-N-CA 129.819 3.581 . . . . 0.0 115.819 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.782 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.341 0.5 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.735 -177.992 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . 0.283 82.3 mtt180 -105.22 22.1 15.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.626 2.77 . . . . 0.0 115.601 168.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.98 -50.47 1.01 Allowed Glycine 0 C--N 1.373 2.616 0 C-N-CA 129.749 3.547 . . . . 0.0 117.604 162.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -74.96 -5.34 43.34 Favored 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 128.272 2.629 . . . . 0.0 115.106 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.38 4.12 23.76 Favored Glycine 0 C--N 1.364 2.095 1 C-N-CA 133.702 5.43 . . . . 0.0 115.513 -171.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtm-85 -74.8 74.42 2.1 Favored 'General case' 0 N--CA 1.445 -0.722 1 C-N-CA 137.812 6.445 . . . . 0.0 113.216 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.782 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.377 0.4 OUTLIER -60.02 163.09 5.0 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 119.555 3.168 . . . . 0.0 119.555 -178.997 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.775 HG22 ' H ' ' B' ' 80' ' ' ARG 0.377 8.2 mt -120.21 -175.66 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.59 2.507 0 C-N-CA 130.997 3.719 . . . . 0.0 108.584 -178.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.775 ' H ' HG22 ' B' ' 79' ' ' ILE 0.498 30.7 mtp85 . . . . . 0 C--N 1.37 1.457 1 C-N-CA 133.398 4.679 . . . . 0.0 114.84 -162.832 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.471 -2.686 0 CA-C-O 115.05 -3.083 . . . . 0.0 112.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . 0.276 36.3 Cg_endo -100.04 -25.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.655 0 CA-C-N 123.66 3.73 . . . . 0.0 113.529 148.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -116.37 -178.31 0.51 Allowed Pre-proline 0 CA--C 1.58 2.121 1 C-N-CA 131.925 4.09 . . . . 0.0 109.48 173.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.28 161.88 39.61 Favored 'Trans proline' 0 CA--C 1.575 2.541 1 C-N-CA 126.639 4.893 . . . . 0.0 112.466 148.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -43.35 138.22 2.42 Favored 'General case' 0 N--CA 1.523 3.221 1 C-N-CA 134.894 5.277 . . . . 0.0 117.189 -170.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.19 -40.5 8.53 Favored Glycine 0 C--N 1.381 3.047 0 C-N-CA 128.776 3.084 . . . . 0.0 112.838 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' B' ' 78' ' ' ARG . 0.2 OUTLIER -153.29 169.49 22.94 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.906 1.682 . . . . 0.0 112.999 -173.691 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -88.73 7.69 32.53 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.09 -94.37 0.2 Allowed Glycine 0 C--N 1.384 3.245 0 C-N-CA 128.417 2.913 . . . . 0.0 110.083 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -73.9 77.23 1.64 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.746 3.218 . . . . 0.0 109.395 168.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.09 -27.59 2.01 Favored Glycine 0 C--N 1.374 2.639 0 N-CA-C 120.085 2.794 . . . . 0.0 120.085 160.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -48.15 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 1 C-N-CA 134.369 5.068 . . . . 0.0 117.438 166.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.663 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 0.1 OUTLIER -40.96 146.26 0.17 Allowed 'General case' 0 C--N 1.38 1.903 1 C-N-CA 133.643 4.777 . . . . 0.0 119.588 179.846 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.283 3.5 mt -126.64 141.87 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 1 C-N-CA 132.103 4.161 . . . . 0.0 109.747 -175.803 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.255 21.4 mtp-105 . . . . . 0 C--N 1.379 1.87 1 C-N-CA 134.72 5.208 . . . . 0.0 111.74 -169.619 . . . . . . . . 2 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.471 -2.657 1 CA-C-O 112.476 -4.513 . . . . 0.0 113.186 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' PRO . . . . . 0.45 ' HG2' ' HD2' ' B' ' 68' ' ' ARG 0.294 91.1 Cg_endo -77.5 -58.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.388 2.611 1 CA-C-N 127.795 5.797 . . . . 0.0 111.412 164.352 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.757 ' H ' ' HD2' ' B' ' 68' ' ' ARG 0.274 0.0 OUTLIER -89.07 -172.91 0.36 Allowed Pre-proline 0 CA--C 1.578 2.047 0 C-N-CA 130.733 3.613 . . . . 0.0 112.721 162.458 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -71.83 149.74 54.43 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 124.696 3.597 . . . . 0.0 111.835 153.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -21.08 131.19 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.316 1 C-N-CA 133.261 4.625 . . . . 0.0 117.223 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.74 -39.34 8.84 Favored Glycine 0 CA--C 1.495 -1.205 0 C-N-CA 129.209 3.29 . . . . 0.0 112.587 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.718 HG22 ' HG3' ' B' ' 78' ' ' ARG 0.277 0.1 OUTLIER -143.68 157.78 44.15 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.601 3.16 . . . . 0.0 116.707 -170.526 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.591 ' HE ' HG12 ' B' ' 79' ' ' ILE . 71.2 mtt180 -86.38 12.41 10.2 Favored 'General case' 0 C--N 1.366 1.306 1 C-N-CA 133.909 4.883 . . . . 0.0 115.784 162.354 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.8 -100.89 0.84 Allowed Glycine 0 C--N 1.373 2.624 1 C-N-CA 132.635 4.921 . . . . 0.0 109.218 162.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -48.83 56.26 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.179 1 C-N-CA 133.545 4.738 . . . . 0.0 116.414 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.14 -2.9 0.89 Allowed Glycine 0 C--N 1.363 2.078 1 C-N-CA 130.867 4.079 . . . . 0.0 119.465 -169.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -65.76 69.12 0.05 OUTLIER 'General case' 0 C--N 1.368 1.398 1 C-N-CA 135.363 5.465 . . . . 0.0 113.988 177.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.718 ' HG3' HG22 ' B' ' 72' ' ' THR 0.283 0.1 OUTLIER -65.71 156.64 32.38 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.924 1.821 . . . . 0.0 114.017 -172.066 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.591 HG12 ' HE ' ' B' ' 73' ' ' ARG . 1.9 mt -125.2 106.3 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 1 C-N-CA 132.605 4.362 . . . . 0.0 107.295 -176.525 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.274 71.7 mtm-85 . . . . . 0 C--N 1.361 1.099 1 C-N-CA 138.066 6.546 . . . . 0.0 104.851 176.076 . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.492 ' OP1' " H5'" ' A' ' 24' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.562 4.008 0 O5'-P-OP1 118.219 3.489 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.571 4.332 0 C3'-C2'-C1' 105.095 3.994 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . 0.408 ' C2 ' ' C5 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.557 3.612 2 N19-C1'-C2' 122.337 5.586 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 0.464 ' C2 ' ' C5 ' ' A' ' 8' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.562 4.022 1 P-O5'-C5' 128.617 4.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . 0.464 ' C5 ' ' C2 ' ' A' ' 7' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.575 5.031 1 O5'-C5'-C4' 118.748 6.105 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.497 ' P ' HH12 ' B' ' 81' ' ' ARG . . . . . . . . 1 P--O3' 1.533 -6.165 3 P-O3'-C3' 124.656 4.13 OUTLIER-EPSILON 0.273 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.582 ' C5 ' HD13 ' B' ' 79' ' ' ILE . . . . . . . . 0 C4'--C3' 1.557 2.957 3 P-O3'-C3' 130.058 8.632 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.431 ' N7 ' ' NH2' ' B' ' 73' ' ' ARG . . . . . . . . 0 C5'--C4' 1.562 3.968 2 P-O3'-C3' 128.274 7.145 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.787 0 P-O3'-C3' 115.293 -3.672 . 0.07 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.577 ' C2 ' ' C4 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.948 3 N19-C1'-C2' 121.334 4.958 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.577 ' C4 ' ' C2 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.557 2.94 2 N19-C1'-C2' 125.136 7.335 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.839 1 P-O3'-C3' 127.424 6.436 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.498 ' C4 ' ' N3 ' ' A' ' 17' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.585 5.733 1 O5'-C5'-C4' 117.283 5.059 . 0.748 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . 0.498 ' N3 ' ' C4 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 P--O5' 1.554 -3.919 4 P-O5'-C5' 133.303 7.752 . 0.581 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.68 " H2'" ' C6 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 P--O3' 1.548 -4.954 3 P-O3'-C3' 134.357 12.214 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ' U' . . . . . 0.68 ' C6 ' " H2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.529 0 C3'-C2'-C1' 104.435 3.261 OUTLIER-EPSILON 0.118 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.554 " H1'" HH11 ' B' ' 68' ' ' ARG . . . . . . . . 2 C5'--C4' 1.568 4.437 6 P-O3'-C3' 131.847 10.123 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.511 " H2'" ' HA3' ' B' ' 71' ' ' GLY . . . . . . . . 1 P--O3' 1.537 -5.82 3 P-O3'-C3' 132.551 10.709 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.424 ' OP2' ' NH1' ' B' ' 78' ' ' ARG . . . . . . . . 1 C5'--C4' 1.582 5.534 2 P-O3'-C3' 131.192 9.576 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.515 0 OP1-P-OP2 114.058 -3.695 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . 0.492 " H5'" ' OP1' ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.57 4.606 2 P-O3'-C3' 139.628 16.607 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ' C' . . . . . 0.514 ' H41' ' HB3' ' B' ' 73' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.685 3 P-O3'-C3' 125.931 5.193 . 0.295 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.651 1 O4'-C1'-N19 114.04 5.84 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.588 6.028 3 P-O5'-C5' 131.053 6.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.365 1 O5'-C5'-C4' 116.803 4.717 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . 0.617 " H2'" ' C6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O3' 1.559 -3.997 2 P-O3'-C3' 137.792 15.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.617 ' C6 ' " H2'" ' A' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.747 1 N19-C1'-C2' 105.431 -4.981 . 0.636 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.802 1 P-O3'-C3' 114.344 -4.463 . 0.124 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.514 2.726 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.48 -125.25 2.94 Favored Glycine 0 C--N 1.381 3.037 0 CA-C-N 121.607 2.003 . . . . 0.0 112.82 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' PRO . . . . . 0.464 ' HG2' ' C6 ' ' A' ' 18' ' ' ' A' 0.374 46.3 Cg_endo -94.05 -20.67 0.36 Allowed 'Trans proline' 0 CA--C 1.582 2.897 0 C-N-CA 123.697 2.931 . . . . 0.0 112.183 174.633 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.554 HH11 " H1'" ' A' ' 20' ' ' ' U' . 72.8 mtm180 -98.14 -160.09 0.04 OUTLIER Pre-proline 0 CA--C 1.59 2.514 1 C-N-CA 133.709 4.804 . . . . 0.0 108.033 146.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 69' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' B' ' 68' ' ' ARG . 31.1 Cg_exo -64.94 -149.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.584 2.99 0 C-N-CA 124.529 3.486 . . . . 0.0 114.96 163.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ARG . . . . . 0.476 ' HG2' ' O6 ' ' A' ' 14' ' ' ' G' . 27.6 mtt85 -82.28 143.04 31.59 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 126.256 1.822 . . . . 0.0 108.825 155.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.511 ' HA3' " H2'" ' A' ' 21' ' ' ' A' . . . -80.73 -41.07 11.3 Favored Glycine 0 C--N 1.346 1.103 0 C-N-CA 129.194 3.283 . . . . 0.0 113.398 169.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.308 0.1 OUTLIER -161.18 167.61 25.79 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 118.252 2.686 . . . . 0.0 118.252 -164.757 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.514 ' HB3' ' H41' ' A' ' 25' ' ' ' C' 0.325 58.3 mtt180 -101.32 42.61 1.11 Allowed 'General case' 0 C--N 1.373 1.602 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 166.347 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.1 11.91 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 120.356 2.903 . . . . 0.0 120.356 156.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.55 63.4 1.63 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 129.12 2.968 . . . . 0.0 105.067 167.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 -11.65 0.24 Allowed Glycine 0 C--N 1.385 3.304 0 N-CA-C 121.901 3.52 . . . . 0.0 121.901 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' B' ' 73' ' ' ARG . 24.9 mtm-85 -63.04 57.09 0.02 OUTLIER 'General case' 0 C--N 1.386 2.171 1 C-N-CA 135.374 5.469 . . . . 0.0 112.069 -176.498 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.57 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 2.3 mmm180 -56.47 133.98 53.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 131.642 3.977 . . . . 0.0 113.752 -170.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.582 HD13 ' C5 ' ' A' ' 10' ' ' ' U' 0.403 11.2 mt -99.07 155.19 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.026 0 C-N-CA 128.937 2.895 . . . . 0.0 111.265 -164.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.402 ' NH2' ' OP2' ' A' ' 21' ' ' ' A' 0.257 18.8 mtm180 86.13 71.24 0.01 OUTLIER 'General case' 0 C--N 1.371 1.504 1 C-N-CA 133.211 4.604 . . . . 0.0 109.485 -162.617 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.497 HH12 ' P ' ' A' ' 9' ' ' ' G' . 3.8 mmt85 . . . . . 0 C--O 1.26 1.646 0 C-N-CA 127.441 2.297 . . . . 0.0 112.141 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.494 ' C6 ' ' C6 ' ' A' ' 5' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.608 0 N19-C1'-C2' 119.349 3.718 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.494 ' C6 ' ' C6 ' ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 3.014 1 P-O3'-C3' 130.011 8.593 . 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . 0.422 ' OP1' ' NZ ' ' B' ' 75' ' ' LYS . . . . . . . . 1 C2'--C1' 1.588 6.047 4 N19-C1'-C2' 126.983 8.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.577 5.124 2 P-O3'-C3' 130.9 9.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . 0.4 ' N4 ' ' H1 ' ' A' ' 27' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.747 2 P-O3'-C3' 114.052 -4.707 . 0.417 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 5.03 1 P-O5'-C5' 128.436 4.71 . 0.412 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.763 H5'' HH22 ' B' ' 73' ' ' ARG . . . . . . . . 0 C5'--C4' 1.555 3.461 1 N19-C1'-C2' 122.967 5.979 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.433 " H2'" ' O2 ' ' A' ' 10' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.563 4.085 3 P-O3'-C3' 130.186 8.738 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.21 0 O3'-P-O5' 97.169 -3.595 . 0.285 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.461 ' C2 ' ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.908 0 O4'-C4'-C3' 100.526 -3.553 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.461 ' C8 ' ' C2 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.567 3.877 2 C5'-C4'-C3' 108.668 -4.555 . 0.248 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.559 3.13 0 O3'-P-O5' 97.093 -3.635 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.516 ' C2 ' ' C2 ' ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.571 4.676 0 O4'-C1'-N19 111.756 3.556 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . 0.468 " H4'" " H5'" ' A' ' 18' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.562 4.018 1 P-O3'-C3' 129.207 7.923 . 0.55 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.583 ' C4 ' ' C5 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 C2'--C1' 1.571 4.292 3 O4'-C1'-N19 99.666 -8.534 . 0.116 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ' U' . . . . . 0.583 ' C5 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.593 6.367 4 O5'-C5'-C4' 119.918 6.942 . 0.056 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.41 " H4'" " H5'" ' A' ' 21' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.557 3.616 3 C3'-C2'-C1' 107.63 6.811 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.441 ' OP1' ' NE ' ' B' ' 78' ' ' ARG . . . . . . . . 0 P--O3' 1.562 -3.777 4 P-O3'-C3' 132.115 10.346 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.622 " H2'" ' C6 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.564 3.553 4 P-O3'-C3' 126.846 5.955 . 0.01 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.622 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.563 4.107 4 O4'-C1'-N19 113.263 5.063 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . 0.467 ' C2 ' ' C6 ' ' A' ' 25' ' ' ' C' . . . . . . . . 0 P--O3' 1.566 -3.446 3 P-O3'-C3' 130.825 9.271 . 0.628 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ' C' . . . . . 0.486 ' C2 ' ' C5 ' ' A' ' 26' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.566 4.312 3 P-O5'-C5' 131.615 6.697 . 0.127 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' C' . . . . . 0.486 ' C5 ' ' C2 ' ' A' ' 25' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.57 4.62 1 O5'-C5'-C4' 117.357 5.112 . 0.166 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . 0.4 ' H1 ' ' N4 ' ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.766 2 P-O3'-C3' 124.82 4.266 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.563 3.485 0 O5'-C5'-C4' 115.664 3.903 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.582 5.563 1 O5'-C5'-C4' 117.541 5.244 . 0.375 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.494 " H2'" ' C6 ' ' A' ' 31' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.56 3.839 2 O4'-C1'-N19 113.285 5.085 . 0.841 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . 0.494 ' C6 ' " H2'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 C2'--C1' 1.563 3.463 1 N19-C1'-C2' 120.494 4.433 . 0.046 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.51 2.561 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.29 -106.84 2.78 Favored Glycine 0 CA--C 1.465 -3.048 0 CA-C-O 115.74 -2.7 . . . . 0.0 109.289 -162.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' PRO . . . . . 0.443 ' HG2' ' C2 ' ' A' ' 18' ' ' ' A' . 35.8 Cg_endo -90.14 3.15 5.06 Favored 'Trans proline' 0 C--N 1.376 1.989 0 CA-C-N 122.963 3.382 . . . . 0.0 114.894 148.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.41 ' HD3' ' C2 ' ' A' ' 20' ' ' ' U' 0.394 0.0 OUTLIER -161.48 170.37 8.31 Favored Pre-proline 0 CA--C 1.569 1.692 0 C-N-CA 131.454 3.902 . . . . 0.0 109.557 166.006 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -73.58 116.18 4.59 Favored 'Trans proline' 0 CA--C 1.566 2.089 1 CA-C-N 128.923 4.223 . . . . 0.0 114.483 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ARG . . . . . 0.411 ' HG2' ' O6 ' ' A' ' 22' ' ' ' G' 0.418 9.5 mtt85 25.06 131.04 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.168 1 C-N-CA 132.82 4.448 . . . . 0.0 119.822 173.858 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 -39.07 5.88 Favored Glycine 0 CA--C 1.492 -1.384 0 C-N-CA 129.625 3.488 . . . . 0.0 113.069 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.395 0.4 OUTLIER -150.82 170.73 18.55 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 126.539 1.935 . . . . 0.0 113.606 -173.033 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.763 HH22 H5'' ' A' ' 10' ' ' ' U' . 83.8 mtt180 -97.34 4.81 50.64 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.53 1.932 . . . . 0.0 115.566 172.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.31 88.15 1.99 Allowed Glycine 0 C--N 1.364 2.136 0 CA-C-N 119.637 1.108 . . . . 0.0 112.179 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.504 ' HE3' H5'' ' A' ' 23' ' ' ' C' 0.517 1.4 mptt 89.03 81.33 0.01 OUTLIER 'General case' 0 C--N 1.358 0.952 0 C-N-CA 131.339 3.856 . . . . 0.0 112.238 -179.417 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.36 -15.67 0.78 Allowed Glycine 0 C--N 1.367 2.3 0 C-N-CA 130.437 3.875 . . . . 0.0 119.916 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -66.35 46.64 0.03 OUTLIER 'General case' 0 C--N 1.376 1.75 1 C-N-CA 132.991 4.516 . . . . 0.0 115.69 -167.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.663 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.521 2.3 mmm-85 -50.9 148.6 4.04 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 131.011 3.725 . . . . 0.0 115.051 -164.037 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.445 HD13 ' H5 ' ' A' ' 10' ' ' ' U' 0.331 10.7 mt -119.05 154.38 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-N 110.579 -3.009 . . . . 0.0 108.938 -174.049 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.313 20.8 mtp85 103.27 65.36 0.0 OUTLIER 'General case' 0 C--N 1.369 1.436 1 C-N-CA 138.04 6.536 . . . . 0.0 107.516 -168.587 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.425 ' NH1' ' OP2' ' A' ' 10' ' ' ' U' . 8.0 mmt180 . . . . . 0 C--N 1.38 1.898 0 CA-C-O 116.046 -1.931 . . . . 0.0 112.422 -160.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.563 3.523 0 P-O5'-C5' 124.928 2.518 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.685 3 O4'-C1'-N19 103.152 -5.048 . 0.46 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . 0.418 ' C2 ' ' C5 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 P--O5' 1.567 -2.551 3 C5'-C4'-C3' 107.602 -5.265 . 0.134 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 0.418 ' C5 ' ' C2 ' ' A' ' 6' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.572 4.767 3 O4'-C1'-N19 117.399 9.199 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . 0.497 ' C5 ' ' HD2' ' B' ' 77' ' ' ARG . . . . . . . . 1 C2'--C1' 1.569 4.072 1 P-O5'-C5' 113.376 -4.702 . 0.573 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.427 ' C6 ' ' HD3' ' B' ' 73' ' ' ARG . . . . . . . . 0 C2'--C1' 1.567 3.911 3 O4'-C4'-C3' 97.531 -5.692 . 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.587 H5'' ' HG3' ' B' ' 81' ' ' ARG . . . . . . . . 0 P--O5' 1.631 3.832 3 N19-C1'-C2' 125.134 7.334 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.488 2.882 3 P-O3'-C3' 131.681 9.984 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.555 -3.785 1 P-O3'-C3' 114.542 -4.298 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.452 ' N1 ' ' C5 ' ' A' ' 14' ' ' ' G' . . . . . . . . 1 C2'--C1' 1.568 4.048 1 C4'-C3'-C2' 97.442 -5.258 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.5 ' O6 ' ' HG2' ' B' ' 70' ' ' ARG . . . . . . . . 1 C5'--C4' 1.564 4.178 2 O5'-C5'-C4' 120.365 7.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.895 1 N19-C1'-C2' 120.309 4.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.517 ' C4 ' ' HA2' ' B' ' 66' ' ' GLY . . . . . . . . 0 C5'--C4' 1.549 3.038 1 C3'-C2'-C1' 105.423 4.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . 0.581 " H4'" " H5'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.454 3.342 1 C5'-C4'-O4' 116.816 5.44 . 0.325 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.581 " H5'" " H4'" ' A' ' 17' ' ' ' C' . . . . . . . . 0 C2'--C1' 1.566 3.839 3 O4'-C1'-N19 102.581 -5.619 . 0.069 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ' U' . . . . . 0.556 ' C6 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.589 6.106 3 O4'-C1'-N19 116.5 8.3 . 0.01 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.392 2 C3'-C2'-C1' 105.987 4.986 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.642 ' C4 ' ' NH1' ' B' ' 68' ' ' ARG . . . . . . . . 0 C2'--C1' 1.502 -2.64 2 P-O3'-C3' 132.603 10.753 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.641 " H2'" ' C6 ' ' A' ' 23' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.568 4.496 4 O4'-C1'-N19 115.171 6.971 . 0.023 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.641 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.569 4.526 2 P-O5'-C5' 128.248 4.592 . 0.267 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.562 3.992 4 P-O3'-C3' 136.878 14.315 . 0.387 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.785 2 P-O5'-C5' 131.277 6.486 . 0.598 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 4.835 1 O5'-C5'-C4' 116.257 4.327 . 0.368 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.559 3.078 1 N19-C1'-C2' 126.788 8.368 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.575 4.727 2 P-O3'-C3' 129.693 8.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . 0.452 " H2'" ' C6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.569 4.556 1 O5'-C5'-C4' 116.072 4.194 . 0.258 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.452 ' C6 ' " H2'" ' A' ' 29' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.573 4.871 1 C4'-C3'-C2' 106.702 4.002 . 0.216 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 4.768 1 C4'-C3'-C2' 107.571 4.871 . 0.016 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.7 p . . . . . 0 N--CA 1.506 2.365 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.517 ' HA2' ' C4 ' ' A' ' 16' ' ' ' U' . . . 128.96 174.8 13.83 Favored Glycine 1 C--N 1.402 4.208 0 N-CA-C 121.196 3.238 . . . . 0.0 121.196 178.519 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 67' ' ' PRO . . . . . 0.566 ' HB3' ' C2 ' ' A' ' 17' ' ' ' C' . 42.2 Cg_endo -71.83 -64.07 0.04 OUTLIER 'Trans proline' 1 C--N 1.414 4.002 0 CA-C-N 123.933 3.866 . . . . 0.0 113.12 161.144 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.642 ' NH1' ' C4 ' ' A' ' 21' ' ' ' A' . 0.0 OUTLIER -84.39 -169.7 0.23 Allowed Pre-proline 0 CA--C 1.589 2.468 0 C-N-CA 128.833 2.853 . . . . 0.0 113.076 155.18 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -62.36 164.53 17.46 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 124.518 3.479 . . . . 0.0 112.819 146.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ARG . . . . . 0.5 ' HG2' ' O6 ' ' A' ' 14' ' ' ' G' . 2.7 mtt85 -55.05 151.77 8.59 Favored 'General case' 0 N--CA 1.502 2.137 1 C-N-CA 132.823 4.449 . . . . 0.0 116.949 -173.428 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.492 ' HA3' " H2'" ' A' ' 21' ' ' ' A' . . . -85.85 -37.67 9.21 Favored Glycine 0 CA--C 1.485 -1.823 0 C-N-CA 129.819 3.581 . . . . 0.0 115.819 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.782 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.341 0.5 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.735 -177.992 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.458 ' NH2' ' C6 ' ' A' ' 10' ' ' ' U' 0.283 82.3 mtt180 -105.22 22.1 15.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.626 2.77 . . . . 0.0 115.601 168.48 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.98 -50.47 1.01 Allowed Glycine 0 C--N 1.373 2.616 0 C-N-CA 129.749 3.547 . . . . 0.0 117.604 162.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -74.96 -5.34 43.34 Favored 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 128.272 2.629 . . . . 0.0 115.106 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.38 4.12 23.76 Favored Glycine 0 C--N 1.364 2.095 1 C-N-CA 133.702 5.43 . . . . 0.0 115.513 -171.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.497 ' HD2' ' C5 ' ' A' ' 8' ' ' ' C' . 20.2 mtm-85 -74.8 74.42 2.1 Favored 'General case' 0 N--CA 1.445 -0.722 1 C-N-CA 137.812 6.445 . . . . 0.0 113.216 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.782 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.377 0.4 OUTLIER -60.02 163.09 5.0 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 119.555 3.168 . . . . 0.0 119.555 -178.997 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.775 HG22 ' H ' ' B' ' 80' ' ' ARG 0.377 8.2 mt -120.21 -175.66 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.59 2.507 0 C-N-CA 130.997 3.719 . . . . 0.0 108.584 -178.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.775 ' H ' HG22 ' B' ' 79' ' ' ILE 0.498 30.7 mtp85 51.65 52.61 14.27 Favored 'General case' 0 C--N 1.37 1.457 1 C-N-CA 133.398 4.679 . . . . 0.0 114.84 -162.832 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.587 ' HG3' H5'' ' A' ' 10' ' ' ' U' . 0.6 OUTLIER . . . . . 0 C--O 1.259 1.557 1 C-N-CA 135.045 5.338 . . . . 0.0 109.574 -179.515 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.558 3.029 0 C4'-C3'-C2' 99.663 -3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.562 -3.089 3 OP1-P-OP2 110.837 -5.842 . 0.386 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.896 4 P-O3'-C3' 130.475 8.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.565 3.733 0 P-O5'-C5' 114.888 -3.757 . 0.131 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . 0.651 ' C5 ' ' HD2' ' B' ' 77' ' ' ARG . . . . . . . . 1 P--O3' 1.557 -4.143 2 P-O3'-C3' 130.37 8.892 . 0.731 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.594 6.571 2 N19-C1'-C2' 121.388 4.992 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.698 ' C5 ' HD13 ' B' ' 79' ' ' ILE . . . . . . . . 0 C5'--C4' 1.557 3.621 4 N19-C1'-C2' 123.993 6.62 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.516 ' OP1' " H4'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.491 3.193 4 P-O3'-C3' 132.04 10.283 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . 0.418 " H3'" H5'' ' A' ' 13' ' ' ' A' . . . . . . . . 1 P--O5' 1.546 -4.707 0 O3'-P-O5' 96.788 -3.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.418 H5'' " H3'" ' A' ' 12' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.55 2.189 1 P-O5'-C5' 129.082 5.114 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.41 ' C5 ' ' C5 ' ' A' ' 15' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.572 4.789 1 O5'-C5'-C4' 116.253 4.324 . 0.366 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.41 ' C5 ' ' C5 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.488 2.942 2 P-O3'-C3' 125.945 5.204 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.612 ' C4 ' ' HA3' ' B' ' 66' ' ' GLY . . . . . . . . 0 C5'--C4' 1.552 3.235 1 O4'-C1'-N19 112.258 4.058 . 0.082 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . 0.572 " H1'" ' C8 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.553 3.288 3 P-O3'-C3' 127.065 6.137 . 0.134 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.587 ' C4 ' ' C6 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 P--O3' 1.558 -4.054 5 P-O3'-C3' 130.59 9.075 . 0.032 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ' U' . . . . . 0.587 ' C6 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.58 5.359 3 O5'-C5'-C4' 118.678 6.055 . 0.017 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.566 ' C2 ' ' HD2' ' B' ' 68' ' ' ARG . . . . . . . . 2 C5'--C4' 1.575 4.995 1 P-O3'-C3' 134.283 12.152 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.494 H5'' " H4'" ' A' ' 19' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.563 3.513 1 C5'-C4'-O4' 102.421 -4.842 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.514 ' C6 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.568 4.497 2 N19-C1'-C2' 121.119 4.824 . 0.439 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.514 ' C4 ' ' C6 ' ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.582 5.524 3 O4'-C1'-N19 115.937 7.737 . 0.834 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . 0.461 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.555 3.428 0 N19-C1'-C2' 107.318 -3.801 . 0.743 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ' C' . . . . . 0.448 ' C6 ' ' C2 ' ' A' ' 24' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.564 4.189 3 N19-C1'-C2' 120.505 4.441 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.402 0 P-O5'-C5' 127.069 3.855 . 0.279 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.818 1 P-O3'-C3' 125.333 4.694 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.562 4.003 2 O5'-C5'-C4' 116.381 4.415 . 0.135 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . 0.629 " H2'" ' C6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 1 P--O3' 1.554 -4.412 3 P-O3'-C3' 136.27 13.809 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.629 ' C6 ' " H2'" ' A' ' 29' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.558 3.698 0 P-O5'-C5' 124.842 2.463 . 0.204 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.574 4.588 0 O5'-C5'-C4' 115.635 3.882 . 0.431 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.516 2.861 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.612 ' HA3' ' C4 ' ' A' ' 16' ' ' ' U' . . . -127.76 -94.93 0.85 Allowed Glycine 0 CA--C 1.471 -2.686 0 CA-C-O 115.05 -3.083 . . . . 0.0 112.981 -152.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' PRO . . . . . 0.527 ' HG2' ' C2 ' ' A' ' 18' ' ' ' A' 0.276 36.3 Cg_endo -100.04 -25.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.655 0 CA-C-N 123.66 3.73 . . . . 0.0 113.529 148.403 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.566 ' HD2' ' C2 ' ' A' ' 20' ' ' ' U' . 67.6 mtm180 -116.37 -178.31 0.51 Allowed Pre-proline 0 CA--C 1.58 2.121 1 C-N-CA 131.925 4.09 . . . . 0.0 109.48 173.453 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.28 161.88 39.61 Favored 'Trans proline' 0 CA--C 1.575 2.541 1 C-N-CA 126.639 4.893 . . . . 0.0 112.466 148.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -43.35 138.22 2.42 Favored 'General case' 0 N--CA 1.523 3.221 1 C-N-CA 134.894 5.277 . . . . 0.0 117.189 -170.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.19 -40.5 8.53 Favored Glycine 0 C--N 1.381 3.047 0 C-N-CA 128.776 3.084 . . . . 0.0 112.838 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' B' ' 78' ' ' ARG . 0.2 OUTLIER -153.29 169.49 22.94 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.906 1.682 . . . . 0.0 112.999 -173.691 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -88.73 7.69 32.53 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.09 -94.37 0.2 Allowed Glycine 0 C--N 1.384 3.245 0 C-N-CA 128.417 2.913 . . . . 0.0 110.083 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -73.9 77.23 1.64 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.746 3.218 . . . . 0.0 109.395 168.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.09 -27.59 2.01 Favored Glycine 0 C--N 1.374 2.639 0 N-CA-C 120.085 2.794 . . . . 0.0 120.085 160.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.651 ' HD2' ' C5 ' ' A' ' 8' ' ' ' C' . 27.8 mtm-85 -48.15 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 1 C-N-CA 134.369 5.068 . . . . 0.0 117.438 166.471 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.663 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 0.1 OUTLIER -40.96 146.26 0.17 Allowed 'General case' 0 C--N 1.38 1.903 1 C-N-CA 133.643 4.777 . . . . 0.0 119.588 179.846 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.698 HD13 ' C5 ' ' A' ' 10' ' ' ' U' 0.283 3.5 mt -126.64 141.87 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 1 C-N-CA 132.103 4.161 . . . . 0.0 109.747 -175.803 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.255 21.4 mtp-105 78.47 74.76 0.05 Allowed 'General case' 0 C--N 1.379 1.87 1 C-N-CA 134.72 5.208 . . . . 0.0 111.74 -169.619 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.53 HH11 ' HG3' ' B' ' 81' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.959 0 C-N-CA 127.707 2.403 . . . . 0.0 114.621 -160.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.536 0 O4'-C1'-C2' 101.138 -3.759 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.611 0 O5'-P-OP2 102.812 -2.033 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . 0.576 " H2'" ' C6 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.559 3.149 1 P-O3'-C3' 125.883 5.152 . 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 0.576 ' C6 ' " H2'" ' A' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.558 3.703 0 C4'-C3'-C2' 106.422 3.722 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.554 -4.417 3 P-O5'-C5' 129.632 5.458 . 0.01 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.445 ' C5 ' ' HD3' ' B' ' 73' ' ' ARG . . . . . . . . 1 C2'--C1' 1.592 6.423 5 C4'-C3'-C2' 96.873 -5.827 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.756 ' C5 ' HD13 ' B' ' 79' ' ' ILE . . . . . . . . 0 C5'--C4' 1.554 3.414 1 N19-C1'-C2' 120.504 4.44 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.555 ' OP1' " H4'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 P--O3' 1.571 -2.992 1 P-O3'-C3' 134.497 12.331 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.092 3 O4'-C1'-N19 115.1 6.9 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.588 ' C2 ' ' C4 ' ' A' ' 14' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.574 4.903 1 O4'-C1'-N19 112.815 4.615 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.588 ' C4 ' ' C2 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.561 3.262 1 P-O3'-C3' 126.533 5.694 . 0.111 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.576 5.058 0 O5'-C5'-C4' 115.69 3.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.649 ' C4 ' ' HA3' ' B' ' 66' ' ' GLY . . . . . . . . 0 C2'--C1' 1.494 -3.401 1 O4'-C1'-N19 112.498 4.298 . 0.151 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . 0.605 " H4'" " H5'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.446 2.675 2 C3'-C2'-C1' 105.376 4.307 . 0.366 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.642 ' C4 ' ' C6 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 C2'--C1' 1.576 4.805 4 C5'-C4'-C3' 108.224 -4.851 . 0.011 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ' U' . . . . . 0.642 ' C6 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 2 P--O3' 1.546 -5.097 4 O4'-C1'-N19 115.557 7.357 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.725 " H4'" " H5'" ' A' ' 21' ' ' ' A' . . . . . . . . 0 P--O3' 1.575 -2.651 4 P-O3'-C3' 137.231 14.609 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.725 " H5'" " H4'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.489 -3.251 2 C5'-C4'-C3' 105.059 -6.961 . 0.117 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.489 ' C6 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.574 4.941 3 P-O5'-C5' 130.654 6.096 . 0.235 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.632 ' C4 ' ' C5 ' ' A' ' 24' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.601 6.969 3 O5'-C5'-C4' 119.725 6.804 . 0.799 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . 0.632 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 P--O5' 1.631 3.821 1 O4'-C1'-N19 112.488 4.288 . 0.29 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ' C' . . . . . 0.475 ' H41' ' HB3' ' B' ' 73' ' ' ARG . . . . . . . . 0 C5'--C4' 1.562 3.97 2 P-O3'-C3' 128.009 6.924 . 0.905 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' C' . . . . . 0.412 ' N4 ' ' C4 ' ' A' ' 25' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.563 4.094 2 N19-C1'-C2' 106.273 -4.454 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.561 3.349 2 P-O3'-C3' 124.797 4.248 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.569 4.552 0 O5'-C5'-C4' 115.687 3.919 . 0.103 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.465 3.019 2 P-O3'-C3' 127.956 6.88 . 0.713 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 4.749 1 P-O5'-C5' 127.896 4.372 . 0.017 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.568 3.967 0 N19-C1'-C2' 118.924 3.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.508 2.45 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.649 ' HA3' ' C4 ' ' A' ' 16' ' ' ' U' . . . -134.09 -99.45 0.65 Allowed Glycine 0 C--N 1.377 2.823 1 CA-C-O 112.476 -4.513 . . . . 0.0 113.186 -176.6 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 67' ' ' PRO . . . . . 0.45 ' HG2' ' HD2' ' B' ' 68' ' ' ARG 0.294 91.1 Cg_endo -77.5 -58.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.388 2.611 1 CA-C-N 127.795 5.797 . . . . 0.0 111.412 164.352 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.757 ' HD2' ' H ' ' B' ' 68' ' ' ARG 0.274 0.0 OUTLIER -89.07 -172.91 0.36 Allowed Pre-proline 0 CA--C 1.578 2.047 0 C-N-CA 130.733 3.613 . . . . 0.0 112.721 162.458 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -71.83 149.74 54.43 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 124.696 3.597 . . . . 0.0 111.835 153.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ARG . . . . . 0.557 ' HG2' ' O6 ' ' A' ' 14' ' ' ' G' . 14.7 mtt180 -21.08 131.19 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.316 1 C-N-CA 133.261 4.625 . . . . 0.0 117.223 176.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.74 -39.34 8.84 Favored Glycine 0 CA--C 1.495 -1.205 0 C-N-CA 129.209 3.29 . . . . 0.0 112.587 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.718 HG22 ' HG3' ' B' ' 78' ' ' ARG 0.277 0.1 OUTLIER -143.68 157.78 44.15 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.601 3.16 . . . . 0.0 116.707 -170.526 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.591 ' HE ' HG12 ' B' ' 79' ' ' ILE . 71.2 mtt180 -86.38 12.41 10.2 Favored 'General case' 0 C--N 1.366 1.306 1 C-N-CA 133.909 4.883 . . . . 0.0 115.784 162.354 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.8 -100.89 0.84 Allowed Glycine 0 C--N 1.373 2.624 1 C-N-CA 132.635 4.921 . . . . 0.0 109.218 162.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -48.83 56.26 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.179 1 C-N-CA 133.545 4.738 . . . . 0.0 116.414 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.14 -2.9 0.89 Allowed Glycine 0 C--N 1.363 2.078 1 C-N-CA 130.867 4.079 . . . . 0.0 119.465 -169.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.42 ' HD3' ' C4 ' ' A' ' 7' ' ' ' U' . 8.0 mtm-85 -65.76 69.12 0.05 OUTLIER 'General case' 0 C--N 1.368 1.398 1 C-N-CA 135.363 5.465 . . . . 0.0 113.988 177.449 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.718 ' HG3' HG22 ' B' ' 72' ' ' THR 0.283 0.1 OUTLIER -65.71 156.64 32.38 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.924 1.821 . . . . 0.0 114.017 -172.066 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.756 HD13 ' C5 ' ' A' ' 10' ' ' ' U' . 1.9 mt -125.2 106.3 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 1 C-N-CA 132.605 4.362 . . . . 0.0 107.295 -176.525 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.565 ' H ' ' HD2' ' B' ' 81' ' ' ARG 0.274 71.7 mtm-85 128.93 70.63 0.0 OUTLIER 'General case' 0 C--N 1.361 1.099 1 C-N-CA 138.066 6.546 . . . . 0.0 104.851 176.076 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.565 ' HD2' ' H ' ' B' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.568 1.662 0 C-N-CA 128.863 2.865 . . . . 0.0 109.988 -168.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 CA-C-O 117.552 -1.693 . . . . 0.0 112.82 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . 0.374 46.3 Cg_endo -94.05 -20.67 0.36 Allowed 'Trans proline' 0 CA--C 1.582 2.897 0 C-N-CA 123.697 2.931 . . . . 0.0 112.183 174.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.413 ' HB3' ' HD2' ' B' ' 69' ' ' PRO . 72.8 mtm180 -98.14 -160.09 0.04 OUTLIER Pre-proline 0 CA--C 1.59 2.514 1 C-N-CA 133.709 4.804 . . . . 0.0 108.033 146.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' B' ' 68' ' ' ARG . 31.1 Cg_exo -64.94 -149.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.584 2.99 0 C-N-CA 124.529 3.486 . . . . 0.0 114.96 163.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -82.28 143.04 31.59 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 126.256 1.822 . . . . 0.0 108.825 155.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.73 -41.07 11.3 Favored Glycine 0 C--N 1.346 1.103 0 C-N-CA 129.194 3.283 . . . . 0.0 113.398 169.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.308 0.1 OUTLIER -161.18 167.61 25.79 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 118.252 2.686 . . . . 0.0 118.252 -164.757 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' B' ' 77' ' ' ARG 0.325 58.3 mtt180 -101.32 42.61 1.11 Allowed 'General case' 0 C--N 1.373 1.602 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 166.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.1 11.91 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 120.356 2.903 . . . . 0.0 120.356 156.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.55 63.4 1.63 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 129.12 2.968 . . . . 0.0 105.067 167.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 -11.65 0.24 Allowed Glycine 0 C--N 1.385 3.304 0 N-CA-C 121.901 3.52 . . . . 0.0 121.901 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' B' ' 73' ' ' ARG . 24.9 mtm-85 -63.04 57.09 0.02 OUTLIER 'General case' 0 C--N 1.386 2.171 1 C-N-CA 135.374 5.469 . . . . 0.0 112.069 -176.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.57 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 2.3 mmm180 -56.47 133.98 53.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 131.642 3.977 . . . . 0.0 113.752 -170.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.403 11.2 mt -99.07 155.19 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.026 0 C-N-CA 128.937 2.895 . . . . 0.0 111.265 -164.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.257 18.8 mtm180 . . . . . 0 C--N 1.371 1.504 1 C-N-CA 133.211 4.604 . . . . 0.0 109.485 -162.617 . . . . . . . . 2 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.465 -3.048 0 CA-C-O 115.74 -2.7 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -90.14 3.15 5.06 Favored 'Trans proline' 0 C--N 1.376 1.989 0 CA-C-N 122.963 3.382 . . . . 0.0 114.894 148.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . 0.394 0.0 OUTLIER -161.48 170.37 8.31 Favored Pre-proline 0 CA--C 1.569 1.692 0 C-N-CA 131.454 3.902 . . . . 0.0 109.557 166.006 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -73.58 116.18 4.59 Favored 'Trans proline' 0 CA--C 1.566 2.089 1 CA-C-N 128.923 4.223 . . . . 0.0 114.483 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . 0.418 9.5 mtt85 25.06 131.04 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.168 1 C-N-CA 132.82 4.448 . . . . 0.0 119.822 173.858 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 -39.07 5.88 Favored Glycine 0 CA--C 1.492 -1.384 0 C-N-CA 129.625 3.488 . . . . 0.0 113.069 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.395 0.4 OUTLIER -150.82 170.73 18.55 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 126.539 1.935 . . . . 0.0 113.606 -173.033 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -97.34 4.81 50.64 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.53 1.932 . . . . 0.0 115.566 172.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.31 88.15 1.99 Allowed Glycine 0 C--N 1.364 2.136 0 CA-C-N 119.637 1.108 . . . . 0.0 112.179 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . 0.517 1.4 mptt 89.03 81.33 0.01 OUTLIER 'General case' 0 C--N 1.358 0.952 0 C-N-CA 131.339 3.856 . . . . 0.0 112.238 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.36 -15.67 0.78 Allowed Glycine 0 C--N 1.367 2.3 0 C-N-CA 130.437 3.875 . . . . 0.0 119.916 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -66.35 46.64 0.03 OUTLIER 'General case' 0 C--N 1.376 1.75 1 C-N-CA 132.991 4.516 . . . . 0.0 115.69 -167.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.663 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.521 2.3 mmm-85 -50.9 148.6 4.04 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 131.011 3.725 . . . . 0.0 115.051 -164.037 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.331 10.7 mt -119.05 154.38 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-N 110.579 -3.009 . . . . 0.0 108.938 -174.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.313 20.8 mtp85 . . . . . 0 C--N 1.369 1.436 1 C-N-CA 138.04 6.536 . . . . 0.0 107.516 -168.587 . . . . . . . . 2 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.619 0 N-CA-C 121.196 3.238 . . . . 0.0 121.196 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.83 -64.07 0.04 OUTLIER 'Trans proline' 1 C--N 1.414 4.002 0 CA-C-N 123.933 3.866 . . . . 0.0 113.12 161.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -169.7 0.23 Allowed Pre-proline 0 CA--C 1.589 2.468 0 C-N-CA 128.833 2.853 . . . . 0.0 113.076 155.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -62.36 164.53 17.46 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 124.518 3.479 . . . . 0.0 112.819 146.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . 0.494 ' HB2' HD12 ' B' ' 79' ' ' ILE . 2.7 mtt85 -55.05 151.77 8.59 Favored 'General case' 0 N--CA 1.502 2.137 1 C-N-CA 132.823 4.449 . . . . 0.0 116.949 -173.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.85 -37.67 9.21 Favored Glycine 0 CA--C 1.485 -1.823 0 C-N-CA 129.819 3.581 . . . . 0.0 115.819 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.782 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.341 0.5 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.735 -177.992 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . 0.283 82.3 mtt180 -105.22 22.1 15.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.626 2.77 . . . . 0.0 115.601 168.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.98 -50.47 1.01 Allowed Glycine 0 C--N 1.373 2.616 0 C-N-CA 129.749 3.547 . . . . 0.0 117.604 162.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -74.96 -5.34 43.34 Favored 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 128.272 2.629 . . . . 0.0 115.106 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.38 4.12 23.76 Favored Glycine 0 C--N 1.364 2.095 1 C-N-CA 133.702 5.43 . . . . 0.0 115.513 -171.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtm-85 -74.8 74.42 2.1 Favored 'General case' 0 N--CA 1.445 -0.722 1 C-N-CA 137.812 6.445 . . . . 0.0 113.216 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.782 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.377 0.4 OUTLIER -60.02 163.09 5.0 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 119.555 3.168 . . . . 0.0 119.555 -178.997 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.775 HG22 ' H ' ' B' ' 80' ' ' ARG 0.377 8.2 mt -120.21 -175.66 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.59 2.507 0 C-N-CA 130.997 3.719 . . . . 0.0 108.584 -178.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.775 ' H ' HG22 ' B' ' 79' ' ' ILE 0.498 30.7 mtp85 . . . . . 0 C--N 1.37 1.457 1 C-N-CA 133.398 4.679 . . . . 0.0 114.84 -162.832 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.471 -2.686 0 CA-C-O 115.05 -3.083 . . . . 0.0 112.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . . . . . . . . 0.276 36.3 Cg_endo -100.04 -25.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.655 0 CA-C-N 123.66 3.73 . . . . 0.0 113.529 148.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -116.37 -178.31 0.51 Allowed Pre-proline 0 CA--C 1.58 2.121 1 C-N-CA 131.925 4.09 . . . . 0.0 109.48 173.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.28 161.88 39.61 Favored 'Trans proline' 0 CA--C 1.575 2.541 1 C-N-CA 126.639 4.893 . . . . 0.0 112.466 148.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -43.35 138.22 2.42 Favored 'General case' 0 N--CA 1.523 3.221 1 C-N-CA 134.894 5.277 . . . . 0.0 117.189 -170.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.19 -40.5 8.53 Favored Glycine 0 C--N 1.381 3.047 0 C-N-CA 128.776 3.084 . . . . 0.0 112.838 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' B' ' 78' ' ' ARG . 0.2 OUTLIER -153.29 169.49 22.94 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.906 1.682 . . . . 0.0 112.999 -173.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -88.73 7.69 32.53 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.09 -94.37 0.2 Allowed Glycine 0 C--N 1.384 3.245 0 C-N-CA 128.417 2.913 . . . . 0.0 110.083 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -73.9 77.23 1.64 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.746 3.218 . . . . 0.0 109.395 168.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.09 -27.59 2.01 Favored Glycine 0 C--N 1.374 2.639 0 N-CA-C 120.085 2.794 . . . . 0.0 120.085 160.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -48.15 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 1 C-N-CA 134.369 5.068 . . . . 0.0 117.438 166.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.663 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 0.1 OUTLIER -40.96 146.26 0.17 Allowed 'General case' 0 C--N 1.38 1.903 1 C-N-CA 133.643 4.777 . . . . 0.0 119.588 179.846 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . 0.283 3.5 mt -126.64 141.87 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 1 C-N-CA 132.103 4.161 . . . . 0.0 109.747 -175.803 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.255 21.4 mtp-105 . . . . . 0 C--N 1.379 1.87 1 C-N-CA 134.72 5.208 . . . . 0.0 111.74 -169.619 . . . . . . . . 2 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.471 -2.657 1 CA-C-O 112.476 -4.513 . . . . 0.0 113.186 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' PRO . . . . . 0.45 ' HG2' ' HD2' ' B' ' 68' ' ' ARG 0.294 91.1 Cg_endo -77.5 -58.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.388 2.611 1 CA-C-N 127.795 5.797 . . . . 0.0 111.412 164.352 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.757 ' H ' ' HD2' ' B' ' 68' ' ' ARG 0.274 0.0 OUTLIER -89.07 -172.91 0.36 Allowed Pre-proline 0 CA--C 1.578 2.047 0 C-N-CA 130.733 3.613 . . . . 0.0 112.721 162.458 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -71.83 149.74 54.43 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 124.696 3.597 . . . . 0.0 111.835 153.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -21.08 131.19 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.316 1 C-N-CA 133.261 4.625 . . . . 0.0 117.223 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.74 -39.34 8.84 Favored Glycine 0 CA--C 1.495 -1.205 0 C-N-CA 129.209 3.29 . . . . 0.0 112.587 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.718 HG22 ' HG3' ' B' ' 78' ' ' ARG 0.277 0.1 OUTLIER -143.68 157.78 44.15 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.601 3.16 . . . . 0.0 116.707 -170.526 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.591 ' HE ' HG12 ' B' ' 79' ' ' ILE . 71.2 mtt180 -86.38 12.41 10.2 Favored 'General case' 0 C--N 1.366 1.306 1 C-N-CA 133.909 4.883 . . . . 0.0 115.784 162.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.8 -100.89 0.84 Allowed Glycine 0 C--N 1.373 2.624 1 C-N-CA 132.635 4.921 . . . . 0.0 109.218 162.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -48.83 56.26 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.179 1 C-N-CA 133.545 4.738 . . . . 0.0 116.414 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.14 -2.9 0.89 Allowed Glycine 0 C--N 1.363 2.078 1 C-N-CA 130.867 4.079 . . . . 0.0 119.465 -169.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -65.76 69.12 0.05 OUTLIER 'General case' 0 C--N 1.368 1.398 1 C-N-CA 135.363 5.465 . . . . 0.0 113.988 177.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.718 ' HG3' HG22 ' B' ' 72' ' ' THR 0.283 0.1 OUTLIER -65.71 156.64 32.38 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.924 1.821 . . . . 0.0 114.017 -172.066 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.591 HG12 ' HE ' ' B' ' 73' ' ' ARG . 1.9 mt -125.2 106.3 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 1 C-N-CA 132.605 4.362 . . . . 0.0 107.295 -176.525 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.274 71.7 mtm-85 . . . . . 0 C--N 1.361 1.099 1 C-N-CA 138.066 6.546 . . . . 0.0 104.851 176.076 . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.492 ' OP1' " H5'" ' A' ' 24' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.562 4.008 0 O5'-P-OP1 118.219 3.489 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.571 4.332 0 C3'-C2'-C1' 105.095 3.994 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . 0.408 ' C2 ' ' C5 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.557 3.612 2 N19-C1'-C2' 122.337 5.586 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 0.464 ' C2 ' ' C5 ' ' A' ' 8' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.562 4.022 1 P-O5'-C5' 128.617 4.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . 0.464 ' C5 ' ' C2 ' ' A' ' 7' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.575 5.031 1 O5'-C5'-C4' 118.748 6.105 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.497 ' P ' HH12 ' B' ' 81' ' ' ARG . . . . . . . . 1 P--O3' 1.533 -6.165 3 P-O3'-C3' 124.656 4.13 OUTLIER-EPSILON 0.273 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.582 ' C5 ' HD13 ' B' ' 79' ' ' ILE . . . . . . . . 0 C4'--C3' 1.557 2.957 3 P-O3'-C3' 130.058 8.632 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.431 ' N7 ' ' NH2' ' B' ' 73' ' ' ARG . . . . . . . . 0 C5'--C4' 1.562 3.968 2 P-O3'-C3' 128.274 7.145 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.787 0 P-O3'-C3' 115.293 -3.672 . 0.07 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.577 ' C2 ' ' C4 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.948 3 N19-C1'-C2' 121.334 4.958 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.577 ' C4 ' ' C2 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.557 2.94 2 N19-C1'-C2' 125.136 7.335 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.839 1 P-O3'-C3' 127.424 6.436 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.498 ' C4 ' ' N3 ' ' A' ' 17' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.585 5.733 1 O5'-C5'-C4' 117.283 5.059 . 0.748 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . 0.498 ' N3 ' ' C4 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 P--O5' 1.554 -3.919 4 P-O5'-C5' 133.303 7.752 . 0.581 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.68 " H2'" ' C6 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 P--O3' 1.548 -4.954 3 P-O3'-C3' 134.357 12.214 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ' U' . . . . . 0.68 ' C6 ' " H2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.529 0 C3'-C2'-C1' 104.435 3.261 OUTLIER-EPSILON 0.118 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.554 " H1'" HH11 ' B' ' 68' ' ' ARG . . . . . . . . 2 C5'--C4' 1.568 4.437 6 P-O3'-C3' 131.847 10.123 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.511 " H2'" ' HA3' ' B' ' 71' ' ' GLY . . . . . . . . 1 P--O3' 1.537 -5.82 3 P-O3'-C3' 132.551 10.709 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.424 ' OP2' ' NH1' ' B' ' 78' ' ' ARG . . . . . . . . 1 C5'--C4' 1.582 5.534 2 P-O3'-C3' 131.192 9.576 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.515 0 OP1-P-OP2 114.058 -3.695 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . 0.492 " H5'" ' OP1' ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.57 4.606 2 P-O3'-C3' 139.628 16.607 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ' C' . . . . . 0.514 ' H41' ' HB3' ' B' ' 73' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.685 3 P-O3'-C3' 125.931 5.193 . 0.295 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.651 1 O4'-C1'-N19 114.04 5.84 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.588 6.028 3 P-O5'-C5' 131.053 6.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.365 1 O5'-C5'-C4' 116.803 4.717 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . 0.617 " H2'" ' C6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O3' 1.559 -3.997 2 P-O3'-C3' 137.792 15.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.617 ' C6 ' " H2'" ' A' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.747 1 N19-C1'-C2' 105.431 -4.981 . 0.636 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.802 1 P-O3'-C3' 114.344 -4.463 . 0.124 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.514 2.726 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.48 -125.25 2.94 Favored Glycine 0 C--N 1.381 3.037 0 CA-C-N 121.607 2.003 . . . . 0.0 112.82 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . 0.464 ' HG2' ' C6 ' ' A' ' 18' ' ' ' A' 0.374 46.3 Cg_endo -94.05 -20.67 0.36 Allowed 'Trans proline' 0 CA--C 1.582 2.897 0 C-N-CA 123.697 2.931 . . . . 0.0 112.183 174.633 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.554 HH11 " H1'" ' A' ' 20' ' ' ' U' . 72.8 mtm180 -98.14 -160.09 0.04 OUTLIER Pre-proline 0 CA--C 1.59 2.514 1 C-N-CA 133.709 4.804 . . . . 0.0 108.033 146.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' B' ' 68' ' ' ARG . 31.1 Cg_exo -64.94 -149.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.584 2.99 0 C-N-CA 124.529 3.486 . . . . 0.0 114.96 163.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.476 ' HG2' ' O6 ' ' A' ' 14' ' ' ' G' . 27.6 mtt85 -82.28 143.04 31.59 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 126.256 1.822 . . . . 0.0 108.825 155.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.511 ' HA3' " H2'" ' A' ' 21' ' ' ' A' . . . -80.73 -41.07 11.3 Favored Glycine 0 C--N 1.346 1.103 0 C-N-CA 129.194 3.283 . . . . 0.0 113.398 169.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.308 0.1 OUTLIER -161.18 167.61 25.79 Favored 'General case' 0 C--N 1.366 1.294 0 N-CA-C 118.252 2.686 . . . . 0.0 118.252 -164.757 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.514 ' HB3' ' H41' ' A' ' 25' ' ' ' C' 0.325 58.3 mtt180 -101.32 42.61 1.11 Allowed 'General case' 0 C--N 1.373 1.602 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 166.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.3 -10.1 11.91 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 120.356 2.903 . . . . 0.0 120.356 156.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.55 63.4 1.63 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 129.12 2.968 . . . . 0.0 105.067 167.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 -11.65 0.24 Allowed Glycine 0 C--N 1.385 3.304 0 N-CA-C 121.901 3.52 . . . . 0.0 121.901 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' B' ' 73' ' ' ARG . 24.9 mtm-85 -63.04 57.09 0.02 OUTLIER 'General case' 0 C--N 1.386 2.171 1 C-N-CA 135.374 5.469 . . . . 0.0 112.069 -176.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.57 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 2.3 mmm180 -56.47 133.98 53.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 131.642 3.977 . . . . 0.0 113.752 -170.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.582 HD13 ' C5 ' ' A' ' 10' ' ' ' U' 0.403 11.2 mt -99.07 155.19 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.026 0 C-N-CA 128.937 2.895 . . . . 0.0 111.265 -164.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.402 ' NH2' ' OP2' ' A' ' 21' ' ' ' A' 0.257 18.8 mtm180 86.13 71.24 0.01 OUTLIER 'General case' 0 C--N 1.371 1.504 1 C-N-CA 133.211 4.604 . . . . 0.0 109.485 -162.617 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.497 HH12 ' P ' ' A' ' 9' ' ' ' G' . 3.8 mmt85 . . . . . 0 C--O 1.26 1.646 0 C-N-CA 127.441 2.297 . . . . 0.0 112.141 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.494 ' C6 ' ' C6 ' ' A' ' 5' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.608 0 N19-C1'-C2' 119.349 3.718 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.494 ' C6 ' ' C6 ' ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 3.014 1 P-O3'-C3' 130.011 8.593 . 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . 0.422 ' OP1' ' NZ ' ' B' ' 75' ' ' LYS . . . . . . . . 1 C2'--C1' 1.588 6.047 4 N19-C1'-C2' 126.983 8.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.577 5.124 2 P-O3'-C3' 130.9 9.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . 0.4 ' N4 ' ' H1 ' ' A' ' 27' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.747 2 P-O3'-C3' 114.052 -4.707 . 0.417 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 5.03 1 P-O5'-C5' 128.436 4.71 . 0.412 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.763 H5'' HH22 ' B' ' 73' ' ' ARG . . . . . . . . 0 C5'--C4' 1.555 3.461 1 N19-C1'-C2' 122.967 5.979 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.433 " H2'" ' O2 ' ' A' ' 10' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.563 4.085 3 P-O3'-C3' 130.186 8.738 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.21 0 O3'-P-O5' 97.169 -3.595 . 0.285 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.461 ' C2 ' ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.908 0 O4'-C4'-C3' 100.526 -3.553 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.461 ' C8 ' ' C2 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.567 3.877 2 C5'-C4'-C3' 108.668 -4.555 . 0.248 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.559 3.13 0 O3'-P-O5' 97.093 -3.635 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.516 ' C2 ' ' C2 ' ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.571 4.676 0 O4'-C1'-N19 111.756 3.556 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . 0.468 " H4'" " H5'" ' A' ' 18' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.562 4.018 1 P-O3'-C3' 129.207 7.923 . 0.55 1[ . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.583 ' C4 ' ' C5 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 C2'--C1' 1.571 4.292 3 O4'-C1'-N19 99.666 -8.534 . 0.116 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ' U' . . . . . 0.583 ' C5 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.593 6.367 4 O5'-C5'-C4' 119.918 6.942 . 0.056 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.41 " H4'" " H5'" ' A' ' 21' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.557 3.616 3 C3'-C2'-C1' 107.63 6.811 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.441 ' OP1' ' NE ' ' B' ' 78' ' ' ARG . . . . . . . . 0 P--O3' 1.562 -3.777 4 P-O3'-C3' 132.115 10.346 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.622 " H2'" ' C6 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 C3'--C2' 1.564 3.553 4 P-O3'-C3' 126.846 5.955 . 0.01 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.622 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.563 4.107 4 O4'-C1'-N19 113.263 5.063 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . 0.467 ' C2 ' ' C6 ' ' A' ' 25' ' ' ' C' . . . . . . . . 0 P--O3' 1.566 -3.446 3 P-O3'-C3' 130.825 9.271 . 0.628 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ' C' . . . . . 0.486 ' C2 ' ' C5 ' ' A' ' 26' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.566 4.312 3 P-O5'-C5' 131.615 6.697 . 0.127 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' C' . . . . . 0.486 ' C5 ' ' C2 ' ' A' ' 25' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.57 4.62 1 O5'-C5'-C4' 117.357 5.112 . 0.166 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . 0.4 ' H1 ' ' N4 ' ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.766 2 P-O3'-C3' 124.82 4.266 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.563 3.485 0 O5'-C5'-C4' 115.664 3.903 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.582 5.563 1 O5'-C5'-C4' 117.541 5.244 . 0.375 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.494 " H2'" ' C6 ' ' A' ' 31' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.56 3.839 2 O4'-C1'-N19 113.285 5.085 . 0.841 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . 0.494 ' C6 ' " H2'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 C2'--C1' 1.563 3.463 1 N19-C1'-C2' 120.494 4.433 . 0.046 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.51 2.561 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.29 -106.84 2.78 Favored Glycine 0 CA--C 1.465 -3.048 0 CA-C-O 115.74 -2.7 . . . . 0.0 109.289 -162.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . 0.443 ' HG2' ' C2 ' ' A' ' 18' ' ' ' A' . 35.8 Cg_endo -90.14 3.15 5.06 Favored 'Trans proline' 0 C--N 1.376 1.989 0 CA-C-N 122.963 3.382 . . . . 0.0 114.894 148.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.41 ' HD3' ' C2 ' ' A' ' 20' ' ' ' U' 0.394 0.0 OUTLIER -161.48 170.37 8.31 Favored Pre-proline 0 CA--C 1.569 1.692 0 C-N-CA 131.454 3.902 . . . . 0.0 109.557 166.006 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -73.58 116.18 4.59 Favored 'Trans proline' 0 CA--C 1.566 2.089 1 CA-C-N 128.923 4.223 . . . . 0.0 114.483 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.411 ' HG2' ' O6 ' ' A' ' 22' ' ' ' G' 0.418 9.5 mtt85 25.06 131.04 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.168 1 C-N-CA 132.82 4.448 . . . . 0.0 119.822 173.858 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 -39.07 5.88 Favored Glycine 0 CA--C 1.492 -1.384 0 C-N-CA 129.625 3.488 . . . . 0.0 113.069 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.395 0.4 OUTLIER -150.82 170.73 18.55 Favored 'General case' 0 C--N 1.373 1.622 0 C-N-CA 126.539 1.935 . . . . 0.0 113.606 -173.033 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.763 HH22 H5'' ' A' ' 10' ' ' ' U' . 83.8 mtt180 -97.34 4.81 50.64 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.53 1.932 . . . . 0.0 115.566 172.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.31 88.15 1.99 Allowed Glycine 0 C--N 1.364 2.136 0 CA-C-N 119.637 1.108 . . . . 0.0 112.179 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.504 ' HE3' H5'' ' A' ' 23' ' ' ' C' 0.517 1.4 mptt 89.03 81.33 0.01 OUTLIER 'General case' 0 C--N 1.358 0.952 0 C-N-CA 131.339 3.856 . . . . 0.0 112.238 -179.417 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.36 -15.67 0.78 Allowed Glycine 0 C--N 1.367 2.3 0 C-N-CA 130.437 3.875 . . . . 0.0 119.916 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -66.35 46.64 0.03 OUTLIER 'General case' 0 C--N 1.376 1.75 1 C-N-CA 132.991 4.516 . . . . 0.0 115.69 -167.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.663 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.521 2.3 mmm-85 -50.9 148.6 4.04 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 131.011 3.725 . . . . 0.0 115.051 -164.037 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.445 HD13 ' H5 ' ' A' ' 10' ' ' ' U' 0.331 10.7 mt -119.05 154.38 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-N 110.579 -3.009 . . . . 0.0 108.938 -174.049 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.313 20.8 mtp85 103.27 65.36 0.0 OUTLIER 'General case' 0 C--N 1.369 1.436 1 C-N-CA 138.04 6.536 . . . . 0.0 107.516 -168.587 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.425 ' NH1' ' OP2' ' A' ' 10' ' ' ' U' . 8.0 mmt180 . . . . . 0 C--N 1.38 1.898 0 CA-C-O 116.046 -1.931 . . . . 0.0 112.422 -160.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.563 3.523 0 P-O5'-C5' 124.928 2.518 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.685 3 O4'-C1'-N19 103.152 -5.048 . 0.46 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . 0.418 ' C2 ' ' C5 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 P--O5' 1.567 -2.551 3 C5'-C4'-C3' 107.602 -5.265 . 0.134 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 0.418 ' C5 ' ' C2 ' ' A' ' 6' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.572 4.767 3 O4'-C1'-N19 117.399 9.199 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . 0.497 ' C5 ' ' HD2' ' B' ' 77' ' ' ARG . . . . . . . . 1 C2'--C1' 1.569 4.072 1 P-O5'-C5' 113.376 -4.702 . 0.573 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.427 ' C6 ' ' HD3' ' B' ' 73' ' ' ARG . . . . . . . . 0 C2'--C1' 1.567 3.911 3 O4'-C4'-C3' 97.531 -5.692 . 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.587 H5'' ' HG3' ' B' ' 81' ' ' ARG . . . . . . . . 0 P--O5' 1.631 3.832 3 N19-C1'-C2' 125.134 7.334 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.488 2.882 3 P-O3'-C3' 131.681 9.984 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.555 -3.785 1 P-O3'-C3' 114.542 -4.298 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.452 ' N1 ' ' C5 ' ' A' ' 14' ' ' ' G' . . . . . . . . 1 C2'--C1' 1.568 4.048 1 C4'-C3'-C2' 97.442 -5.258 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.5 ' O6 ' ' HG2' ' B' ' 70' ' ' ARG . . . . . . . . 1 C5'--C4' 1.564 4.178 2 O5'-C5'-C4' 120.365 7.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.895 1 N19-C1'-C2' 120.309 4.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.517 ' C4 ' ' HA2' ' B' ' 66' ' ' GLY . . . . . . . . 0 C5'--C4' 1.549 3.038 1 C3'-C2'-C1' 105.423 4.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . 0.581 " H4'" " H5'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.454 3.342 1 C5'-C4'-O4' 116.816 5.44 . 0.325 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.581 " H5'" " H4'" ' A' ' 17' ' ' ' C' . . . . . . . . 0 C2'--C1' 1.566 3.839 3 O4'-C1'-N19 102.581 -5.619 . 0.069 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ' U' . . . . . 0.556 ' C6 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.589 6.106 3 O4'-C1'-N19 116.5 8.3 . 0.01 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.392 2 C3'-C2'-C1' 105.987 4.986 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.642 ' C4 ' ' NH1' ' B' ' 68' ' ' ARG . . . . . . . . 0 C2'--C1' 1.502 -2.64 2 P-O3'-C3' 132.603 10.753 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.641 " H2'" ' C6 ' ' A' ' 23' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.568 4.496 4 O4'-C1'-N19 115.171 6.971 . 0.023 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.641 ' C6 ' " H2'" ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.569 4.526 2 P-O5'-C5' 128.248 4.592 . 0.267 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.562 3.992 4 P-O3'-C3' 136.878 14.315 . 0.387 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.785 2 P-O5'-C5' 131.277 6.486 . 0.598 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 4.835 1 O5'-C5'-C4' 116.257 4.327 . 0.368 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.559 3.078 1 N19-C1'-C2' 126.788 8.368 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.575 4.727 2 P-O3'-C3' 129.693 8.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . 0.452 " H2'" ' C6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.569 4.556 1 O5'-C5'-C4' 116.072 4.194 . 0.258 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.452 ' C6 ' " H2'" ' A' ' 29' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.573 4.871 1 C4'-C3'-C2' 106.702 4.002 . 0.216 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 4.768 1 C4'-C3'-C2' 107.571 4.871 . 0.016 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.7 p . . . . . 0 N--CA 1.506 2.365 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.517 ' HA2' ' C4 ' ' A' ' 16' ' ' ' U' . . . 128.96 174.8 13.83 Favored Glycine 1 C--N 1.402 4.208 0 N-CA-C 121.196 3.238 . . . . 0.0 121.196 178.519 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . 0.566 ' HB3' ' C2 ' ' A' ' 17' ' ' ' C' . 42.2 Cg_endo -71.83 -64.07 0.04 OUTLIER 'Trans proline' 1 C--N 1.414 4.002 0 CA-C-N 123.933 3.866 . . . . 0.0 113.12 161.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.642 ' NH1' ' C4 ' ' A' ' 21' ' ' ' A' . 0.0 OUTLIER -84.39 -169.7 0.23 Allowed Pre-proline 0 CA--C 1.589 2.468 0 C-N-CA 128.833 2.853 . . . . 0.0 113.076 155.18 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -62.36 164.53 17.46 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 124.518 3.479 . . . . 0.0 112.819 146.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.5 ' HG2' ' O6 ' ' A' ' 14' ' ' ' G' . 2.7 mtt85 -55.05 151.77 8.59 Favored 'General case' 0 N--CA 1.502 2.137 1 C-N-CA 132.823 4.449 . . . . 0.0 116.949 -173.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.492 ' HA3' " H2'" ' A' ' 21' ' ' ' A' . . . -85.85 -37.67 9.21 Favored Glycine 0 CA--C 1.485 -1.823 0 C-N-CA 129.819 3.581 . . . . 0.0 115.819 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.782 ' HB ' ' HA ' ' B' ' 78' ' ' ARG 0.341 0.5 OUTLIER -151.57 175.14 12.62 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.735 -177.992 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.458 ' NH2' ' C6 ' ' A' ' 10' ' ' ' U' 0.283 82.3 mtt180 -105.22 22.1 15.97 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 128.626 2.77 . . . . 0.0 115.601 168.48 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.98 -50.47 1.01 Allowed Glycine 0 C--N 1.373 2.616 0 C-N-CA 129.749 3.547 . . . . 0.0 117.604 162.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -74.96 -5.34 43.34 Favored 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 128.272 2.629 . . . . 0.0 115.106 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.38 4.12 23.76 Favored Glycine 0 C--N 1.364 2.095 1 C-N-CA 133.702 5.43 . . . . 0.0 115.513 -171.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.497 ' HD2' ' C5 ' ' A' ' 8' ' ' ' C' . 20.2 mtm-85 -74.8 74.42 2.1 Favored 'General case' 0 N--CA 1.445 -0.722 1 C-N-CA 137.812 6.445 . . . . 0.0 113.216 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.782 ' HA ' ' HB ' ' B' ' 72' ' ' THR 0.377 0.4 OUTLIER -60.02 163.09 5.0 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 119.555 3.168 . . . . 0.0 119.555 -178.997 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.775 HG22 ' H ' ' B' ' 80' ' ' ARG 0.377 8.2 mt -120.21 -175.66 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.59 2.507 0 C-N-CA 130.997 3.719 . . . . 0.0 108.584 -178.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.775 ' H ' HG22 ' B' ' 79' ' ' ILE 0.498 30.7 mtp85 51.65 52.61 14.27 Favored 'General case' 0 C--N 1.37 1.457 1 C-N-CA 133.398 4.679 . . . . 0.0 114.84 -162.832 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.587 ' HG3' H5'' ' A' ' 10' ' ' ' U' . 0.6 OUTLIER . . . . . 0 C--O 1.259 1.557 1 C-N-CA 135.045 5.338 . . . . 0.0 109.574 -179.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.558 3.029 0 C4'-C3'-C2' 99.663 -3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.562 -3.089 3 OP1-P-OP2 110.837 -5.842 . 0.386 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.896 4 P-O3'-C3' 130.475 8.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.565 3.733 0 P-O5'-C5' 114.888 -3.757 . 0.131 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . 0.651 ' C5 ' ' HD2' ' B' ' 77' ' ' ARG . . . . . . . . 1 P--O3' 1.557 -4.143 2 P-O3'-C3' 130.37 8.892 . 0.731 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.594 6.571 2 N19-C1'-C2' 121.388 4.992 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.698 ' C5 ' HD13 ' B' ' 79' ' ' ILE . . . . . . . . 0 C5'--C4' 1.557 3.621 4 N19-C1'-C2' 123.993 6.62 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.516 ' OP1' " H4'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.491 3.193 4 P-O3'-C3' 132.04 10.283 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . 0.418 " H3'" H5'' ' A' ' 13' ' ' ' A' . . . . . . . . 1 P--O5' 1.546 -4.707 0 O3'-P-O5' 96.788 -3.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.418 H5'' " H3'" ' A' ' 12' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.55 2.189 1 P-O5'-C5' 129.082 5.114 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.41 ' C5 ' ' C5 ' ' A' ' 15' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.572 4.789 1 O5'-C5'-C4' 116.253 4.324 . 0.366 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.41 ' C5 ' ' C5 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.488 2.942 2 P-O3'-C3' 125.945 5.204 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.612 ' C4 ' ' HA3' ' B' ' 66' ' ' GLY . . . . . . . . 0 C5'--C4' 1.552 3.235 1 O4'-C1'-N19 112.258 4.058 . 0.082 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . 0.572 " H1'" ' C8 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.553 3.288 3 P-O3'-C3' 127.065 6.137 . 0.134 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.587 ' C4 ' ' C6 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 P--O3' 1.558 -4.054 5 P-O3'-C3' 130.59 9.075 . 0.032 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ' U' . . . . . 0.587 ' C6 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.58 5.359 3 O5'-C5'-C4' 118.678 6.055 . 0.017 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.566 ' C2 ' ' HD2' ' B' ' 68' ' ' ARG . . . . . . . . 2 C5'--C4' 1.575 4.995 1 P-O3'-C3' 134.283 12.152 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.494 H5'' " H4'" ' A' ' 19' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.563 3.513 1 C5'-C4'-O4' 102.421 -4.842 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.514 ' C6 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.568 4.497 2 N19-C1'-C2' 121.119 4.824 . 0.439 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.514 ' C4 ' ' C6 ' ' A' ' 22' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.582 5.524 3 O4'-C1'-N19 115.937 7.737 . 0.834 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . 0.461 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.555 3.428 0 N19-C1'-C2' 107.318 -3.801 . 0.743 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ' C' . . . . . 0.448 ' C6 ' ' C2 ' ' A' ' 24' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.564 4.189 3 N19-C1'-C2' 120.505 4.441 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.402 0 P-O5'-C5' 127.069 3.855 . 0.279 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.818 1 P-O3'-C3' 125.333 4.694 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.562 4.003 2 O5'-C5'-C4' 116.381 4.415 . 0.135 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . 0.629 " H2'" ' C6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 1 P--O3' 1.554 -4.412 3 P-O3'-C3' 136.27 13.809 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.629 ' C6 ' " H2'" ' A' ' 29' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.558 3.698 0 P-O5'-C5' 124.842 2.463 . 0.204 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.574 4.588 0 O5'-C5'-C4' 115.635 3.882 . 0.431 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.516 2.861 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.612 ' HA3' ' C4 ' ' A' ' 16' ' ' ' U' . . . -127.76 -94.93 0.85 Allowed Glycine 0 CA--C 1.471 -2.686 0 CA-C-O 115.05 -3.083 . . . . 0.0 112.981 -152.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . 0.527 ' HG2' ' C2 ' ' A' ' 18' ' ' ' A' 0.276 36.3 Cg_endo -100.04 -25.15 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.655 0 CA-C-N 123.66 3.73 . . . . 0.0 113.529 148.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.566 ' HD2' ' C2 ' ' A' ' 20' ' ' ' U' . 67.6 mtm180 -116.37 -178.31 0.51 Allowed Pre-proline 0 CA--C 1.58 2.121 1 C-N-CA 131.925 4.09 . . . . 0.0 109.48 173.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.28 161.88 39.61 Favored 'Trans proline' 0 CA--C 1.575 2.541 1 C-N-CA 126.639 4.893 . . . . 0.0 112.466 148.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -43.35 138.22 2.42 Favored 'General case' 0 N--CA 1.523 3.221 1 C-N-CA 134.894 5.277 . . . . 0.0 117.189 -170.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.19 -40.5 8.53 Favored Glycine 0 C--N 1.381 3.047 0 C-N-CA 128.776 3.084 . . . . 0.0 112.838 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.663 ' HB ' ' HA ' ' B' ' 78' ' ' ARG . 0.2 OUTLIER -153.29 169.49 22.94 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.906 1.682 . . . . 0.0 112.999 -173.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -88.73 7.69 32.53 Favored 'General case' 0 C--N 1.364 1.211 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.09 -94.37 0.2 Allowed Glycine 0 C--N 1.384 3.245 0 C-N-CA 128.417 2.913 . . . . 0.0 110.083 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -73.9 77.23 1.64 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 129.746 3.218 . . . . 0.0 109.395 168.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.09 -27.59 2.01 Favored Glycine 0 C--N 1.374 2.639 0 N-CA-C 120.085 2.794 . . . . 0.0 120.085 160.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.651 ' HD2' ' C5 ' ' A' ' 8' ' ' ' C' . 27.8 mtm-85 -48.15 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 1 C-N-CA 134.369 5.068 . . . . 0.0 117.438 166.471 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.663 ' HA ' ' HB ' ' B' ' 72' ' ' THR . 0.1 OUTLIER -40.96 146.26 0.17 Allowed 'General case' 0 C--N 1.38 1.903 1 C-N-CA 133.643 4.777 . . . . 0.0 119.588 179.846 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.698 HD13 ' C5 ' ' A' ' 10' ' ' ' U' 0.283 3.5 mt -126.64 141.87 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 1 C-N-CA 132.103 4.161 . . . . 0.0 109.747 -175.803 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . 0.255 21.4 mtp-105 78.47 74.76 0.05 Allowed 'General case' 0 C--N 1.379 1.87 1 C-N-CA 134.72 5.208 . . . . 0.0 111.74 -169.619 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.53 HH11 ' HG3' ' B' ' 81' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.959 0 C-N-CA 127.707 2.403 . . . . 0.0 114.621 -160.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.536 0 O4'-C1'-C2' 101.138 -3.759 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.611 0 O5'-P-OP2 102.812 -2.033 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . 0.576 " H2'" ' C6 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.559 3.149 1 P-O3'-C3' 125.883 5.152 . 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 0.576 ' C6 ' " H2'" ' A' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.558 3.703 0 C4'-C3'-C2' 106.422 3.722 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.554 -4.417 3 P-O5'-C5' 129.632 5.458 . 0.01 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.445 ' C5 ' ' HD3' ' B' ' 73' ' ' ARG . . . . . . . . 1 C2'--C1' 1.592 6.423 5 C4'-C3'-C2' 96.873 -5.827 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.756 ' C5 ' HD13 ' B' ' 79' ' ' ILE . . . . . . . . 0 C5'--C4' 1.554 3.414 1 N19-C1'-C2' 120.504 4.44 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.555 ' OP1' " H4'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 P--O3' 1.571 -2.992 1 P-O3'-C3' 134.497 12.331 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.092 3 O4'-C1'-N19 115.1 6.9 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.588 ' C2 ' ' C4 ' ' A' ' 14' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.574 4.903 1 O4'-C1'-N19 112.815 4.615 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.588 ' C4 ' ' C2 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.561 3.262 1 P-O3'-C3' 126.533 5.694 . 0.111 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.576 5.058 0 O5'-C5'-C4' 115.69 3.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.649 ' C4 ' ' HA3' ' B' ' 66' ' ' GLY . . . . . . . . 0 C2'--C1' 1.494 -3.401 1 O4'-C1'-N19 112.498 4.298 . 0.151 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . 0.605 " H4'" " H5'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.446 2.675 2 C3'-C2'-C1' 105.376 4.307 . 0.366 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.642 ' C4 ' ' C6 ' ' A' ' 19' ' ' ' U' . . . . . . . . 1 C2'--C1' 1.576 4.805 4 C5'-C4'-C3' 108.224 -4.851 . 0.011 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ' U' . . . . . 0.642 ' C6 ' ' C4 ' ' A' ' 18' ' ' ' A' . . . . . . . . 2 P--O3' 1.546 -5.097 4 O4'-C1'-N19 115.557 7.357 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.725 " H4'" " H5'" ' A' ' 21' ' ' ' A' . . . . . . . . 0 P--O3' 1.575 -2.651 4 P-O3'-C3' 137.231 14.609 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.725 " H5'" " H4'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.489 -3.251 2 C5'-C4'-C3' 105.059 -6.961 . 0.117 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.489 ' C6 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.574 4.941 3 P-O5'-C5' 130.654 6.096 . 0.235 4n . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.632 ' C4 ' ' C5 ' ' A' ' 24' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.601 6.969 3 O5'-C5'-C4' 119.725 6.804 . 0.799 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . 0.632 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 P--O5' 1.631 3.821 1 O4'-C1'-N19 112.488 4.288 . 0.29 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ' C' . . . . . 0.475 ' H41' ' HB3' ' B' ' 73' ' ' ARG . . . . . . . . 0 C5'--C4' 1.562 3.97 2 P-O3'-C3' 128.009 6.924 . 0.905 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' C' . . . . . 0.412 ' N4 ' ' C4 ' ' A' ' 25' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.563 4.094 2 N19-C1'-C2' 106.273 -4.454 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.561 3.349 2 P-O3'-C3' 124.797 4.248 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.569 4.552 0 O5'-C5'-C4' 115.687 3.919 . 0.103 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.465 3.019 2 P-O3'-C3' 127.956 6.88 . 0.713 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 4.749 1 P-O5'-C5' 127.896 4.372 . 0.017 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.568 3.967 0 N19-C1'-C2' 118.924 3.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.508 2.45 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.649 ' HA3' ' C4 ' ' A' ' 16' ' ' ' U' . . . -134.09 -99.45 0.65 Allowed Glycine 0 C--N 1.377 2.823 1 CA-C-O 112.476 -4.513 . . . . 0.0 113.186 -176.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' PRO . . . . . 0.45 ' HG2' ' HD2' ' B' ' 68' ' ' ARG 0.294 91.1 Cg_endo -77.5 -58.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.388 2.611 1 CA-C-N 127.795 5.797 . . . . 0.0 111.412 164.352 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.757 ' HD2' ' H ' ' B' ' 68' ' ' ARG 0.274 0.0 OUTLIER -89.07 -172.91 0.36 Allowed Pre-proline 0 CA--C 1.578 2.047 0 C-N-CA 130.733 3.613 . . . . 0.0 112.721 162.458 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -71.83 149.74 54.43 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 124.696 3.597 . . . . 0.0 111.835 153.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.557 ' HG2' ' O6 ' ' A' ' 14' ' ' ' G' . 14.7 mtt180 -21.08 131.19 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.316 1 C-N-CA 133.261 4.625 . . . . 0.0 117.223 176.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.74 -39.34 8.84 Favored Glycine 0 CA--C 1.495 -1.205 0 C-N-CA 129.209 3.29 . . . . 0.0 112.587 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.718 HG22 ' HG3' ' B' ' 78' ' ' ARG 0.277 0.1 OUTLIER -143.68 157.78 44.15 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.601 3.16 . . . . 0.0 116.707 -170.526 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.591 ' HE ' HG12 ' B' ' 79' ' ' ILE . 71.2 mtt180 -86.38 12.41 10.2 Favored 'General case' 0 C--N 1.366 1.306 1 C-N-CA 133.909 4.883 . . . . 0.0 115.784 162.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.8 -100.89 0.84 Allowed Glycine 0 C--N 1.373 2.624 1 C-N-CA 132.635 4.921 . . . . 0.0 109.218 162.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -48.83 56.26 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.179 1 C-N-CA 133.545 4.738 . . . . 0.0 116.414 176.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.14 -2.9 0.89 Allowed Glycine 0 C--N 1.363 2.078 1 C-N-CA 130.867 4.079 . . . . 0.0 119.465 -169.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.42 ' HD3' ' C4 ' ' A' ' 7' ' ' ' U' . 8.0 mtm-85 -65.76 69.12 0.05 OUTLIER 'General case' 0 C--N 1.368 1.398 1 C-N-CA 135.363 5.465 . . . . 0.0 113.988 177.449 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.718 ' HG3' HG22 ' B' ' 72' ' ' THR 0.283 0.1 OUTLIER -65.71 156.64 32.38 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.924 1.821 . . . . 0.0 114.017 -172.066 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.756 HD13 ' C5 ' ' A' ' 10' ' ' ' U' . 1.9 mt -125.2 106.3 16.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 1 C-N-CA 132.605 4.362 . . . . 0.0 107.295 -176.525 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.565 ' H ' ' HD2' ' B' ' 81' ' ' ARG 0.274 71.7 mtm-85 128.93 70.63 0.0 OUTLIER 'General case' 0 C--N 1.361 1.099 1 C-N-CA 138.066 6.546 . . . . 0.0 104.851 176.076 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.565 ' HD2' ' H ' ' B' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.568 1.662 0 C-N-CA 128.863 2.865 . . . . 0.0 109.988 -168.631 . . . . . . . . 2 2 . 1 stop_ save_